Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NC(N)=C(C#N)C(=C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=WMIWWRHBXOSRDO-UHFFFAOYSA-N
Formula
C21H16F3N3O2
Mass
399.373
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
Trifluoromethylbenzenes Dimethoxybenzenes Phenoxy compounds Anisoles 3-pyridinecarbonitriles Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - 4-phenylpyridine - Dimethoxybenzene - Trifluoromethylbenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - 3-pyridinecarbonitrile - Methoxybenzene - Aminopyridine - Alkyl aryl ether - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Cyanide - Primary amine - Amine - Organic oxygen compound - 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