Brightway Flows 1.0
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4-Hydroxypyridine

fo-b5deb088a2657497

Identity

Type
Neutral molecule
CAS
626-64-2
EC
210-958-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for 4-Hydroxypyridine

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GCNTZFIIOFTKIY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
IUPAC name chemrof:IUPAC_name 4-Hydroxypyridine
Molecular formula chemrof:molecular_formula C5H5NO
Molecular mass chemrof:molecular_mass 95.101
Monoisotopic mass chemrof:monoisotopic_mass 95.03711, 95.037114
SMILES string chemrof:smiles_string Oc1ccncc1

Known URLs

4

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=626-64-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87614 enrich_references.chebi_id_link
knapsack knapsack:C00007406 enrich_references.chebi_xrefs
reaxys reaxys:105800 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
264a7585-f578-4b7b-b443-677ae414bf14 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
18e4dda6-d7f3-4c11-a0d4-0c6c896c3a14 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7569f29a-b48e-4c04-9315-33ec816e8bec Environmental → Air → Indoor EF 3.1 kg 2
84563b00-a568-4472-9b9c-50d1c4387832 Environmental → Air → Long-term EF 3.1 kg 0
925d3b63-1366-49cf-8834-a396aafe04d8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6cb48cf7-ba27-4f28-970d-0b41750a1025 Environmental → Air → Unknown EF 3.1 kg 2
2fb63f70-d96e-4c6d-99fb-2d38b4fc229f Environmental → Ground → Agricultural EF 3.1 kg 2
26d42b5a-5722-4110-a046-d3fcfab31ea3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ebfd150a-7ce3-42d5-9d3b-decbddab97b6 Environmental → Ground → Unknown EF 3.1 kg 2
ef57b95f-0ede-47fd-8741-50b83f8a5d6d Environmental → Water → Long-term EF 3.1 kg 0
6dffd242-d709-4dac-bab2-b86d44ad9505 Environmental → Water → Ocean EF 3.1 kg 2
ac767457-c7f3-41a8-a680-83331bbcd655 Environmental → Water → Surface water EF 3.1 kg 2
1d5b663e-6188-4606-a9d4-77dd2fd88476 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b5deb088a2657497",
  "prefLabel": [
    {
      "@value": "4-Hydroxypyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:626-64-2",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Pyridinol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_87614"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Pyridol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:626-64-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=626-64-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "gamma-Hydroxypyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pyridin-4-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "γ-Hydroxypyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C5H5NO"
      ],
      "attested_by": {
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      },
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      "rdfs:label": "InChI",
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "GCNTZFIIOFTKIY-UHFFFAOYSA-N"
      ],
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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    },
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      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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        95.037114
      ],
      "attested_by": {
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        ],
        "95.037114": [
          "rdkit_post_consensus",
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        ]
      },
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
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          "enrich_references.chebi_semantic"
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      },
      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "4-Hydroxypyridine": [
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      }
    }
  },
  "references": [
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      "provenance": {
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    {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "18e4dda6-d7f3-4c11-a0d4-0c6c896c3a14",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A monohydroxypyridine that is pyridine in which the hydrogen at position 4 has been replaced by a hydroxy group.",
      "@language": "en",
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    }
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  "@type": [
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  ]
}

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