Compound Identification
SMILES
CN1C=NC=C1C(OCC1=C(C=C(C#N)C(=O)N1C)C1=CC(Cl)=CC=C1)C1=CC(Br)=C(C=C1)C#N
InChIKey
InChIKey=XHIISTKHRQWJJN-UHFFFAOYSA-N
Formula
C26H19BrClN5O2
Mass
548.83
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
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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
Benzylethers 3-pyridinecarbonitriles Benzonitriles Pyridinones Bromobenzenes Chlorobenzenes Dihydropyridines Aryl chlorides Aryl bromides N-substituted imidazoles Heteroaromatic compounds Lactams Azacyclic compounds Dialkyl ethers Nitriles Hydrocarbon derivatives Organobromides Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyridine - Benzylether - Benzonitrile - 3-pyridinecarbonitrile - Bromobenzene - Chlorobenzene - Dihydropyridine - Halobenzene - Pyridinone - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Lactam - Azacycle - Dialkyl ether - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic 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