Consensus flow list

Identity

Type
Neutral molecule
CAS
100-48-1
EC
202-856-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for 4-Cyanopyridine

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GPHQHTOMRSGBNZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
IUPAC name chemrof:IUPAC_name 4-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#Cc1ccncc1

Known URLs

21

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=100-48-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28020 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.597 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9041528 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60681 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL504918 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BY3226D010 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.102F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02234 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02234 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67546 enrich_references.pubchem_identifier_url
patent patent:CN101602719 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7506 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/15364917 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17602496 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31466241 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35385272 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35493882 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/38887585 enrich_references.chebi_xrefs
reaxys reaxys:107712 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27274960 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
16a0faaf-70e6-467f-92b5-d9bc129bb075 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
67450236-d7fe-44eb-958b-06801110fadc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3dbab58f-86bb-4fb5-a9b7-9c968f5939e3 Environmental → Air → Indoor EF 3.1 kg 2
ebeb17ba-6056-42e9-9488-2a66359dc3ad Environmental → Air → Long-term EF 3.1 kg 0
cde0fb65-23d3-4ca1-aab0-bbafc757665a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a677dae0-e9ce-43d2-b507-ffcfd3e6de69 Environmental → Air → Unknown EF 3.1 kg 2
feb13816-0f98-4eab-866f-09183e39a8b6 Environmental → Ground → Agricultural EF 3.1 kg 2
57869472-3e56-4339-93e9-bcebc3d6483e Environmental → Ground → Non-agricultural EF 3.1 kg 2
add1dedc-bd95-4ebc-b3c8-13227140b286 Environmental → Ground → Unknown EF 3.1 kg 2
1238f9d5-2722-4863-8cfc-0e5571d04ae4 Environmental → Water → Long-term EF 3.1 kg 0
fc1f6d5f-18d2-4e4e-82f7-1126340cac72 Environmental → Water → Ocean EF 3.1 kg 2
cd8e4c34-4ece-4226-89aa-26912a76f5dc Environmental → Water → Surface water EF 3.1 kg 2
bcc74458-2889-455a-8f87-22ce5fe7b7ab 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-758afd970b9f7813",
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      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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    },
    {
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    },
    {
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    },
    {
      "@value": "Isonicotinonitrile",
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