3-Cyanopyridine

3-azabenzonitrile
3-pyridinecarbonitrile
3-pyridinenitrile
3-pyridyl cyanide
3-pyridylcarbonitrile
beta-cyanopyridine
nicotinic acid nitrile
Nicotinonitrile
pyridine-3-carbonitrile
β-Cyanopyridine

Property	Value
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

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	https://www.wikidata.org/wiki/Q18730591	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Nicotinonitrile	enrich_references.chebi_xrefs

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

Everything that changed this substance (59 changes)

Open the changes page

Flow object JSON

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

3-Cyanopyridine

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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