5-nitropyrimidin-2-ylamine

2-Amino-5-nitropyridine
2-Pyridinamine, 5-nitro-
5-Nitro-2-aminopyridine
5-Nitro-2-pyridinamine
5-Nitropyridin-2-ylamine
Pyridine, 2-amino-5-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	UGSBCCAHDVCHGI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)
IUPAC name chemrof:IUPAC_name	2-Amino-5-nitropyridine
Molecular formula chemrof:molecular_formula	C5H5N3O2
Molecular mass chemrof:molecular_mass	139.114
Monoisotopic mass chemrof:monoisotopic_mass	139.038176
SMILES string chemrof:smiles_string	Nc1ccc([N+](=O)[O-])cn1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=4214-76-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.021.951	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6063357	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=23774	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4447423	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J29.746A	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J794.961H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/77888	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72440125	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Dictionary_of_chemical_formulas	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d72db8ac-fc0d-419e-9ff5-ef47cb2d5361	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
eb2e5645-d3f4-4b1c-a019-4eb7b5ddb50b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b36ccf20-8c9b-44ec-a872-64cc4e612fa5	Environmental → Air → Indoor	EF 3.1	kg	2
74114a36-9528-49e8-a61e-42e82eec6c20	Environmental → Air → Long-term	EF 3.1	kg	0
73be1e69-3858-4d79-9db5-4aca635c8606	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
1a8c59f2-b2aa-48da-ac8d-f02c59281710	Environmental → Air → Unknown	EF 3.1	kg	2
814c41cf-8d50-4a38-9400-5007f9e63efe	Environmental → Ground → Agricultural	EF 3.1	kg	2
ede65a24-5ff3-4089-a343-bbb3a3555475	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
80154098-a43d-4386-8071-969e47b03a5f	Environmental → Ground → Unknown	EF 3.1	kg	2
6c82c8b3-001b-44bd-89b8-440cc2600f2a	Environmental → Water → Long-term	EF 3.1	kg	0
57f9b594-e893-43cf-9494-a1d0121a93af	Environmental → Water → Ocean	EF 3.1	kg	2
8b90024b-df0c-486e-9c05-9b1bdad30fb8	Environmental → Water → Surface water	EF 3.1	kg	2
042d8c53-468c-41a3-aebe-026570339e0a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-cbc5d0c5c63c2dfe",
  "prefLabel": [
    {
      "@value": "5-nitropyrimidin-2-ylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Amino-5-nitropyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:4214-76-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4214-76-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Pyridinamine, 5-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:4214-76-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4214-76-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Nitro-2-aminopyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:4214-76-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4214-76-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Nitro-2-pyridinamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:4214-76-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4214-76-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Nitropyridin-2-ylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:4214-76-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4214-76-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridine, 2-amino-5-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:4214-76-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4214-76-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5H5N3O2"
      ],
      "attested_by": {
        "C5H5N3O2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:77888"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Nc1ccc([N+](=O)[O-])cn1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "UGSBCCAHDVCHGI-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "UGSBCCAHDVCHGI-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:77888"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Nc1ccc([N+](=O)[O-])cn1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Nc1ccc([N+](=O)[O-])cn1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "2-Amino-5-nitropyridine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Nc1ccc([N+](=O)[O-])cn1"
          ]
        }
      ],
      "attested_by": {
        "Nc1ccc([N+](=O)[O-])cn1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "2-Amino-5-nitropyridine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Nc1ccc([N+](=O)[O-])cn1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-Amino-5-nitropyridine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "2-Amino-5-nitropyridine"
        ]
      },
      "attested_by": {
        "2-Amino-5-nitropyridine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        139.114
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1=CC(=NC=C1[N+](=O)[O-])N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Nc1ccc([N+](=O)[O-])cn1"
          ]
        }
      ],
      "attested_by": {
        "139.114": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        139.038176
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C1=CC(=NC=C1[N+](=O)[O-])N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Nc1ccc([N+](=O)[O-])cn1"
          ]
        }
      ],
      "attested_by": {
        "139.038176": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J29.746A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4214-76-0]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J794.961H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4214-76-0]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.021.951",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4214-76-0]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=4214-76-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4214-76-0]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6063357",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4214-76-0]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=23774",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4214-76-0]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Dictionary_of_chemical_formulas",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4214-76-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/77888",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[4214-76-0]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4447423",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4214-76-0]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72440125",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:77888;CAS:4214-76-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[4214-76-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "042d8c53-468c-41a3-aebe-026570339e0a",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "4214-76-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=4214-76-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=4214-76-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "224-145-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=224-145-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

5-nitropyrimidin-2-ylamine

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard