Compound Identification
SMILES
CC1CCC2=C(C1)SC(NC(=O)COC(=O)C1=NC=C(Cl)C(Cl)=C1Cl)=C2C#N
InChIKey
InChIKey=SWRGFXPKIZGPMI-UHFFFAOYSA-N
Formula
C18H14Cl3N3O3S
Mass
458.74
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
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Subclass
Pyridinecarboxylic acids and derivatives
- Level 5 Pyridinecarboxylic acids
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Subclass
Pyridinecarboxylic acids and derivatives
-
Class
Pyridines and derivatives
-
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
Alternative Parents
Polyhalopyridines N-arylamides Aryl chlorides Vinylogous halides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine carboxylic acid - N-arylamide - Polyhalopyridine - Aryl chloride - Aryl halide - Thiophene - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
External Descriptors
Not available