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CHEBI:123385 - 2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester

Default Structure
ChEBI IDCHEBI:123385
ChEBI Name2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC12H8ClNO3S
Net Charge0
Average Mass281.720
Monoisotopic Mass280.99134
SMILESO=C(OCC(=O)c1ccc(Cl)s1)c1ccccn1
InChIInChI=1S/C12H8ClNO3S/c13-11-5-4-10(18-11)9(15)7-17-12(16)8-3-1-2-6-14-8/h1-6H,7H2
InChIKeyAKQCRDHWBDZILH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester (CHEBI:123385) is a aromatic carboxylic acid (CHEBI:33859)
2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester (CHEBI:123385) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-34827LINCS