CHEBI:107957 - 2-pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester
ChEBI ID CHEBI:107957
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H12F2N2O4
Net Charge 0
Average Mass 322.264
Monoisotopic Mass 322.07651
InChI InChI=1S/C15H12F2N2O4/c16-15(17)23-12-7-2-1-5-10(12)19-13(20)9-22-14(21)11-6-3-4-8-18-11/h1-8,15H,9H2,(H,19,20)
InChIKey QSTDXPKISWJLNS-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=CC=N2)OC(F)F
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester (CHEBI:107957) is a aromatic carboxylic acid (CHEBI:33859)
2-pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester (CHEBI:107957) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-19334 LINCS
View more database links