Compound Identification
SMILES
CCOC(=O)C1=NOC(=C1)C1=CSC(=N1)C1CCN(CC1)C(=O)C1=NC(Cl)=CC(=C1)C(F)(F)F
InChIKey
InChIKey=VKQWWEGNWNBKBL-UHFFFAOYSA-N
Formula
C21H18ClF3N4O4S
Mass
514.9
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
N-acylpiperidines 2-heteroaryl carboxamides 2,4-disubstituted thiazoles 2-halopyridines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organonitrogen compounds Alkyl fluorides Organofluorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid or derivatives - N-acyl-piperidine - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-thiazole - 2-halopyridine - Aryl chloride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Isoxazole - Carboxamide group - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - 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