Compound Identification
SMILES
[Na+].CC(C)C1=C(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)C(=C2C=NN(C2=N1)C1=CC=CC=C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=OOASCQJVVRSGQK-AJOFXCDPSA-M
Formula
C28H27FN3NaO4
Mass
511.529
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
- Subclass Phenylpyridines
-
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
Phenylpyrazoles Pyrazolopyridines Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Hydroxy fatty acids Unsaturated fatty acids Aryl fluorides Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organic sodium salts Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyridine - Phenylpyrazole - Medium-chain hydroxy acid - Pyrazolopyridine - Medium-chain fatty acid - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Hydroxy fatty acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydroxy acid - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Azole - Pyrazole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid salt - Organic alkali metal salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic metal halide - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxygen compound - Alcohol - Organooxygen compound - Organic salt - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organohalogen compound - Organofluoride - Organonitrogen 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