Compound Identification
SMILES
NC1=NC2=C(SC(NC3=CC=CC=C3)=C2C#N)C(C2=CC=C(Br)C=C2)=C1C#N
InChIKey
InChIKey=QFUTXJXIJKYUDU-UHFFFAOYSA-N
Formula
C21H12BrN5S
Mass
446.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
- Subclass Phenylpyridines
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Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Thienopyridines 3,4,5-trisubstituted-2-aminothiophenes Aniline and substituted anilines N-arylated-2-aminothiophenes Bromobenzenes Aminopyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyridine - Thienopyridine - 3,4,5-trisubstituted-2-aminothiophene - Aniline or substituted anilines - Aminopyridine - Bromobenzene - Halobenzene - N-arylated-2-aminothiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - 2-aminothiophene - Heteroaromatic compound - Thiophene - Nitrile - Carbonitrile - Secondary amine - Azacycle - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Cyanide - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors
Not available