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

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ChEBI Name 2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester
ChEBI ID CHEBI:123385
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H8ClNO3S
Net Charge 0
Average Mass 281.716
Monoisotopic Mass 280.99134
InChI InChI=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
InChIKey AKQCRDHWBDZILH-UHFFFAOYSA-N
SMILES C1=CC=NC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-34827 LINCS
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