Compound Identification
SMILES
CC1=CC=C(OC2(CCCN(C2)C(=O)C2=C(C=CN=C2)C(F)(F)F)C(=O)NCC2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=LBBQCIOINOIERF-UHFFFAOYSA-N
Formula
C27H25ClF3N3O3
Mass
531.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinecarboxylic acids and derivatives
Alternative Parents
Piperidinecarboxamides N-acylpiperidines Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-piperidine - 3-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Ether - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
External Descriptors
Not available