Brightway Flows 1.0
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3-chloropyridine

fo-6414e36d27a2861d

Identity

Type
Neutral molecule
CAS
626-60-8
EC
210-955-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-chloropyridine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PWRBCZZQRRPXAB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
IUPAC name chemrof:IUPAC_name 3-chloropyridine
Molecular formula chemrof:molecular_formula C5H4ClN
Molecular mass chemrof:molecular_mass 113.547
Monoisotopic mass chemrof:monoisotopic_mass 113.003227
SMILES string chemrof:smiles_string Clc1cccnc1

Known URLs

10

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=626-60-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.960 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3052309 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60200 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5414002 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1M13HUC1P4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.649F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12287 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q223069 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-Chloropyridine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
77fb5920-eee3-43e1-a69b-e71d3eaa39ad Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f0d7bac2-8c3f-457d-8289-1187350823c5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d9f70a82-f376-4ef5-adb0-ffcb34bf85f8 Environmental → Air → Indoor EF 3.1 kg 2
b4419e87-6fb9-4391-8867-460750e4d9bb Environmental → Air → Long-term EF 3.1 kg 0
4d9547ce-17e8-4d76-aac5-3acfcf52b33e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6d3a1c13-8bfb-4259-b590-9a1c47c07b50 Environmental → Air → Unknown EF 3.1 kg 2
690ea707-607c-4399-8633-d0f872851c3a Environmental → Ground → Agricultural EF 3.1 kg 2
2b5229ec-667f-40c7-adbf-73c849e338bd Environmental → Ground → Non-agricultural EF 3.1 kg 2
b8c89325-aab0-4c77-8e34-47e9e6d529b8 Environmental → Ground → Unknown EF 3.1 kg 2
666ca006-8099-443a-b745-94a182aae592 Environmental → Water → Long-term EF 3.1 kg 0
9922fdfb-9717-423c-92ad-e5281982d2fe Environmental → Water → Ocean EF 3.1 kg 2
cc532cc6-527e-4e02-b2c9-1d1a3a67ff93 Environmental → Water → Surface water EF 3.1 kg 2
87141622-a67b-47d4-bdf3-d75be5dcb047 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6414e36d27a2861d",
  "prefLabel": [
    {
      "@value": "3-chloropyridine",
      "@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": "3-Pyridinyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=626-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Pyridyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:626-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=626-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Chloropyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridine, 3-chloro-",
      "@language": "en",
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      "provenance": {
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      },
      "rdfs:label": "Molecular formula",
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    },
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        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
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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"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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  },
  "references": [
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  "created_from": {
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    "semantic_typing": {
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  "@type": [
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  ]
}

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