Compound Identification
SMILES
OCC(O)CONC(=O)C1=C2CCCN2C(=O)C=C1NC1=C(F)C=C(Br)C=C1
InChIKey
InChIKey=PLNLATAJIFFQFH-UHFFFAOYSA-N
Formula
C18H19BrFN3O5
Mass
456.268
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
Aniline and substituted anilines Pyridinones Aminopyridines and derivatives Fluorobenzenes Bromobenzenes Primary aromatic amines Aryl bromides Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary alcohols 1,2-diols Amino acids and derivatives Lactams Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine carboxylic acid or derivatives - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aminopyridine - Bromobenzene - Pyridinone - Aryl bromide - Monocyclic benzene moiety - Primary aromatic amine - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Secondary alcohol - 1,2-diol - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Organonitrogen compound - Amine - Organooxygen compound - Primary alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic 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