Compound Identification
SMILES
COC1=C(OCC2=CC=C(F)C=C2)C=C(Br)C(C=NNC(=O)C2=C(Cl)N=CC=C2)=C1
InChIKey
InChIKey=HNKGUGRXHZCGAQ-UHFFFAOYSA-N
Formula
C21H16BrClFN3O3
Mass
492.73
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Pyridinecarboxylic acids and derivatives
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Level 5
Pyridinecarboxamides
- Level 6 Nicotinamides
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Level 5
Pyridinecarboxamides
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Subclass
Pyridinecarboxylic acids and derivatives
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxamides
Direct Parent
Nicotinamides
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes 2-halopyridines Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nicotinamide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 2-halopyridine - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Vinylogous halide - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
External Descriptors
Not available