Consensus flow list

Identity

Type
Neutral molecule
CAS
4684-94-0
EC
628-517-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 6-chloropicolinic Acid

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZLKMOIHCHCMSFW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4ClNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
IUPAC name chemrof:IUPAC_name 6-chloropicolinic Acid
Molecular formula chemrof:molecular_formula C6H4ClNO2
Molecular mass chemrof:molecular_mass 157.556
Monoisotopic mass chemrof:monoisotopic_mass 156.993056
SMILES string chemrof:smiles_string O=C(O)c1cccc(Cl)n1

Known URLs

12

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=4684-94-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.156.782 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7040289 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=51587 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1404320 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5WSZ6GQ419 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0247050 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.850G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143678 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20812 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27262971 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dictionary_of_chemical_formulas enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d30387cc-7ce9-45d6-8606-180a4845cf84 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3db1e247-dcf8-4c06-9e40-4a92ed66b290 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4b332794-8f24-4be7-9591-b819a524d3e2 Environmental → Air → Indoor EF 3.1 kg 2
d026fb7f-9dfc-4681-9ab9-76832e6dac53 Environmental → Air → Long-term EF 3.1 kg 0
8166b629-4697-41cd-8cb9-028e0167c5de Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
91493a06-3ee5-43b3-a8e7-8b438b7454ee Environmental → Air → Unknown EF 3.1 kg 2
23aab41e-f01b-401a-a442-6bb738e3cbca Environmental → Ground → Agricultural EF 3.1 kg 2
4a4d71b1-b0fa-419b-888b-a299a7c55758 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a2baaf4a-c7f9-4708-b1d2-cf87dd4dd297 Environmental → Ground → Unknown EF 3.1 kg 2
cb9c38f0-8f41-4aeb-8adb-2c76934be69f Environmental → Water → Long-term EF 3.1 kg 0
1752729e-9b22-47de-a969-d49ae7a2e695 Environmental → Water → Ocean EF 3.1 kg 2
f96bcb0d-bc42-44b5-a9cf-9867de9ee63d Environmental → Water → Surface water EF 3.1 kg 2
90fc6bca-430e-4881-aa59-35c58a3a305b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-665f25195e355edf",
  "prefLabel": [
    {
      "@value": "6-chloropicolinic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Chloropyridine-6-carboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4684-94-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Pyridinecarboxylic acid, 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-pyridinecarboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Chloro-3-picolinic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Picolinic acid, 6-chloro-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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