Compound Identification
SMILES
ClC1=CC(Cl)=C(COC2=C(C=NNC(=O)C3=C(Cl)N=CC=C3)C=C(Br)C=C2)C=C1
InChIKey
InChIKey=VXHXRYCDAUVZQD-UHFFFAOYSA-N
Formula
C20H13BrCl3N3O2
Mass
513.6
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 Phenol ethers Dichlorobenzenes 2-halopyridines Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nicotinamide - Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - 2-halopyridine - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Azacycle - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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