5-Hex-1-ynylnicotinic acid (CHEBI:194824)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-Hex-1-ynylnicotinic acid

ChEBI ID	CHEBI:194824

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C12H13NO2

Net Charge

Average Mass

203.241

Monoisotopic Mass

203.09463

InChI

InChI=1S/C12H13NO2/c1-2-3-4-5-6-10-7-11(12(14)15)9-13-8-10/h7-9H,2-4H2,1H3,(H,14,15)

InChIKey

FKWDNFDBDZUPIQ-UHFFFAOYSA-N

SMILES

OC(=O)C=1C=C(C#CCCCC)C=NC1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	5-Hex-1-ynylnicotinic acid (CHEBI:194824) is a aromatic carboxylic acid (CHEBI:33859) 5-Hex-1-ynylnicotinic acid (CHEBI:194824) is a pyridines (CHEBI:26421)

IUPAC Name

5-hex-1-ynylpyridine-3-carboxylic acid