Compound Identification
SMILES
CC1=CC2=C(S1)C(C1=C(Cl)C(F)=C(Br)C=C1)=C([C@H](OC(C)(C)C)C(O)=O)C(C)=N2
InChIKey
InChIKey=KHBJVMCFWNBFSZ-SFHVURJKSA-N
Formula
C21H20BrClFNO3S
Mass
500.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 2,3,5-trisubstituted thiophenes Bromobenzenes Chlorobenzenes Fluorobenzenes Methylpyridines Aryl fluorides Aryl chlorides Aryl bromides Heteroaromatic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organobromides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyridine - Thienopyridine - 2,3,5-trisubstituted thiophene - Methylpyridine - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Organobromide - 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