Compound Identification
SMILES
NC1=C(C(=O)OC(=O)C(F)(F)F)C2=CC=CC=C2C=N1
InChIKey
InChIKey=JHIPAJNDCOVJPK-UHFFFAOYSA-N
Formula
C12H7F3N2O3
Mass
284.194
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Pyridinecarboxylic acids Aminopyridines and derivatives Benzenoids Imidolactams Vinylogous amides Alpha-halocarboxylic acid derivatives Carboxylic acid anhydrides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Alkyl fluorides Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Carboxylic acid anhydride - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available