Consensus flow list

Identity

Type
Neutral molecule
CAS
18368-63-3
EC
242-241-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6-chloro-2-methylpyridine

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GXZDYRYYNXYPMQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 6-chloro-2-methylpyridine
Molecular formula chemrof:molecular_formula C6H6ClN
Molecular mass chemrof:molecular_mass 127.574
Monoisotopic mass chemrof:monoisotopic_mass 127.018877
SMILES string chemrof:smiles_string Cc1cccc(Cl)n1

Known URLs

7

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=18368-63-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.386 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0022272 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/39MX1LQ68L enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J100.611H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87601 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27256919 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
164671a7-9213-4284-abc4-490f9072b50c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3598c5be-ad0a-47bb-807a-aa3a11bf918d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1acfb4c5-8569-4d8e-8a7e-1f1ad38190e0 Environmental → Air → Indoor EF 3.1 kg 2
5ee38b1a-038f-4bb7-bf34-134cb7f77416 Environmental → Air → Long-term EF 3.1 kg 0
7746b177-7062-4fa4-abcb-4e5b76b2ab4b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
36958b31-e20c-4367-80ac-6ec67c7e83e1 Environmental → Air → Unknown EF 3.1 kg 2
62509172-e884-4035-9f22-f02fb67d2068 Environmental → Ground → Agricultural EF 3.1 kg 2
39d40839-ae03-443e-8a05-502c6aca1c4d Environmental → Ground → Non-agricultural EF 3.1 kg 2
9df4ad68-a4a0-4215-b3bd-a05a34fde674 Environmental → Ground → Unknown EF 3.1 kg 2
ad410a3d-4944-484f-8ccc-7f15b3a2bd01 Environmental → Water → Long-term EF 3.1 kg 0
3ef15918-b858-41de-9bed-23f27e15c54f Environmental → Water → Ocean EF 3.1 kg 2
722b1df5-6c39-4c99-b022-ad21d0127ea3 Environmental → Water → Surface water EF 3.1 kg 2
58560a70-2376-449e-84d6-69b4fba8a765 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-82712e5828302982",
  "prefLabel": [
    {
      "@value": "6-chloro-2-methylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Chloro-6-methylpyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18368-63-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18368-63-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chloro-6-picoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18368-63-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18368-63-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Picoline, 6-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Chloro-2-picoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18368-63-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Methyl-2-chloropyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridine, 2-chloro-6-methyl-",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    }
  ],
  "properties": {
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        "C6H6ClN"
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    },
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      "rdfs:label": "InChIKey",
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          ]
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "6-chloro-2-methylpyridine": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=NC(=CC=C1)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cccc(Cl)n1"
          ]
        }
      ],
      "attested_by": {
        "127.574": [
          "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": [
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      ],
      "provenance": [
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        },
        {
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      ],
      "attested_by": {
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        ]
      },
      "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=J100.611H",
      "provenance": {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "164671a7-9213-4284-abc4-490f9072b50c",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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