Compound Identification
SMILES
CC1=CC=C(CSC2=C(C#N)C(=CC(=N2)C2=CC=C(Br)C=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=BXRFMAJRNUARLB-UHFFFAOYSA-N
Formula
C21H14BrF3N2S
Mass
463.32
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
3-pyridinecarbonitriles Toluenes Bromobenzenes Alkylarylthioethers Aryl bromides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Aryl thioether - 3-pyridinecarbonitrile - Bromobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organosulfur compound - Cyanide - Organic nitrogen 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