CHEBI:74682 - 2-ethylisonicotinic acid

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ChEBI Name 2-ethylisonicotinic acid
ChEBI ID CHEBI:74682
Definition A pyridinemonocarboxylic acid that is isonicotinic acid with an ethyl substituent at position 2 on the ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H9NO2
Net Charge 0
Average Mass 151.16260
Monoisotopic Mass 151.063
InChI InChI=1S/C8H9NO2/c1-2-7-5-6(8(10)11)3-4-9-7/h3-5H,2H2,1H3,(H,10,11)
InChIKey YRCQSPCQYCXBJK-UHFFFAOYSA-N
SMILES CCc1cc(ccn1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Number Type Source
116470 Reaxys Registry Number Reaxys
Last Modified
03 September 2013