Consensus flow list

Identity

Type
Neutral molecule
CAS
6515-38-4
EC
229-405-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3,5,6-trichloro-2-pyridone

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WCYYAQFQZQEUEN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)
IUPAC name chemrof:IUPAC_name 3,5,6-trichloro-2-pyridone
Molecular formula chemrof:molecular_formula C5H2Cl3NO
Molecular mass chemrof:molecular_mass 198.436
Monoisotopic mass chemrof:monoisotopic_mass 196.920197, 196.9202
SMILES string chemrof:smiles_string O=c1[nH]c(Cl)c(Cl)cc1Cl

Known URLs

23

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=6515-38-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:143794 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83490 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.733 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7038317 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186214 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JS52YZJ84A enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0039853 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.095J enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C22282 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=74796 enrich_references.pubchem_identifier_url
pdb pdb:6GNP enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:F4Z enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23017 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/28939184 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29846064 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30226982 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30343485 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30903958 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30929106 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31108286 enrich_references.chebi_xrefs
reaxys reaxys:1448677 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q6593915 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5012ff3e-b481-41fd-9105-201da510e054 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
aec95ff5-7e0d-44f7-9eb4-a315bf84cf43 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3a7bfd22-4b41-4a6c-acbe-6fa09e3cc991 Environmental → Air → Indoor EF 3.1 kg 4
18dff7e8-5d5a-44dc-80c9-39d99def5d1c Environmental → Air → Long-term EF 3.1 kg 0
19f79db5-136b-4801-a6b0-c285ffa38b26 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
de6d8391-bafe-4a9a-b52c-39d9dacfa0da Environmental → Air → Unknown EF 3.1 kg 4
2f6b8ef4-6842-40cf-b288-7e8aed3f2aa5 Environmental → Ground → Agricultural EF 3.1 kg 4
44678e34-bde6-43e3-bb2b-ac658e9dd510 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e44fe4a8-9fa5-410b-8d45-ee2f0448bd17 Environmental → Ground → Unknown EF 3.1 kg 4
c67d079f-c265-4034-9163-4d6b952105c7 Environmental → Water → Long-term EF 3.1 kg 0
83c3059e-e276-478a-8de7-9284be317895 Environmental → Water → Ocean EF 3.1 kg 4
2feef53d-441f-4d03-929b-9567c968b003 Environmental → Water → Surface water EF 3.1 kg 4
2e17174f-268f-4e0e-bdb8-844b6b70a1fe Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-67e85c92d0613c30",
  "prefLabel": [
    {
      "@value": "3,5,6-trichloro-2-pyridone",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2(1H)-Pyridinone, 3,5,6-trichloro-",
      "@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=6515-38-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2(1H)-Pyridone, 3,5,6-trichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3,5-Trichloro-6-hydroxypyridine",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3,5-trichloro-6-pyridinol",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2,3,5-trichloropyridine-6-ol",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-hydroxy-3,5,6-trichloropyridine",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Hydroxyl-3,5,6-trichloropyridine",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Pyridinol, 3,5,6-trichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5,6-Trichloro-1H-pyridin-2-one",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5,6-Trichloro-2(1H)-pyridinone",
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      "provenance": {
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    },
    {
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    },
    {
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      }
    },
    {
      "@value": "3,5,6-Trichloro-2-pyridinol",
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      }
    },
    {
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      }
    },
    {
      "@value": "3,5,6-trichloropyridin-2-ol",
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    },
    {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3,5,6-tris(chloranyl)pyridin-2-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "TCPy",
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    },
    {
      "@value": "TCpyol",
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  ],
  "properties": {
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        "C5H2Cl3NO"
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      "attested_by": {
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      "rdfs:label": "Molecular formula",
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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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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      "attested_by": {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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        }
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    },
    "https://w3id.org/chemrof/elemental_charge": {
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