EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74682 - 2-ethylisonicotinic acid

ChEBI IDCHEBI:74682
ChEBI Name2-ethylisonicotinic acid
Stars
DefinitionA pyridinemonocarboxylic acid that is isonicotinic acid with an ethyl substituent at position 2 on the ring.
Last Modified3 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC8H9NO2
Net Charge0
Average Mass151.165
Monoisotopic Mass151.06333
SMILESCCc1cc(C(=O)O)ccn1
InChIInChI=1S/C8H9NO2/c1-2-7-5-6(8(10)11)3-4-9-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeyYRCQSPCQYCXBJK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-ethylisonicotinic acid (CHEBI:74682) has functional parent isonicotinic acid (CHEBI:6032)
2-ethylisonicotinic acid (CHEBI:74682) has role metabolite (CHEBI:25212)
2-ethylisonicotinic acid (CHEBI:74682) is a pyridinemonocarboxylic acid (CHEBI:26420)
IUPAC Name 
2-ethylpyridine-4-carboxylic acid
Registry NumbersSources
Reaxys:116470Reaxys