Consensus flow list

Identity

Type
Neutral molecule
CAS
100-54-9
EC
202-863-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for 3-Cyanopyridine

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GZPHSAQLYPIAIN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
IUPAC name chemrof:IUPAC_name 3-Cyanopyridine
Molecular formula chemrof:molecular_formula C6H4N2
Molecular mass chemrof:molecular_mass 104.112
Monoisotopic mass chemrof:monoisotopic_mass 104.037448, 104.03745
SMILES string chemrof:smiles_string N#Cc1cccnc1

Known URLs

17

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=100-54-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86556 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.603 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1026665 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=17558 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181972 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X64V0K6260 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.678F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67388 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=3-CYANOPYRIDINE enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/79 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020411 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/25679457 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/470596 enrich_references.chebi_xrefs
reaxys reaxys:107711 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q18730591 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Nicotinonitrile enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
ad3f500d-5a58-40bb-b169-563fac1faa9e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7b8a11d6-4294-41b4-a0ba-88d89d048c66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4c276a31-54a9-4a8c-ac62-605c9d1b400e Environmental → Air → Indoor EF 3.1 kg 4
d943af34-3030-434a-bd0a-cf635030f945 Environmental → Air → Long-term EF 3.1 kg 0
3c3ef60b-3b2b-4f4b-b903-5a751976cd0f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b72bc488-f64e-4c2e-8176-5380fce07d8a Environmental → Air → Unknown EF 3.1 kg 4
90dea45f-fb5f-4ffb-9179-4c135d902260 Environmental → Ground → Agricultural EF 3.1 kg 4
ab45e229-3633-4333-aefe-7266cc2e3d7b Environmental → Ground → Non-agricultural EF 3.1 kg 4
252718ac-416f-478f-b4d3-96bfdd204831 Environmental → Ground → Unknown EF 3.1 kg 4
251af126-bf36-44a9-a93f-cc90963e2832 Environmental → Water → Long-term EF 3.1 kg 0
05b19b97-42e8-4e3c-a0b8-41fce638376e Environmental → Water → Ocean EF 3.1 kg 4
75903646-26ca-496a-999c-ea7dbe3dc6f1 Environmental → Water → Surface water EF 3.1 kg 4
e87cfd7f-8eae-4a7b-bf72-de978c6c31bf Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6385a5c1bba68c64",
  "prefLabel": [
    {
      "@value": "3-Cyanopyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-azabenzonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-pyridinecarbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-pyridinenitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-pyridylcarbonitrile",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "beta-cyanopyridine",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "nicotinic acid nitrile",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Nicotinonitrile",
      "@language": "en",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
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      }
    },
    {
      "@value": "β-Cyanopyridine",
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