Compound Identification
SMILES
CC(C)(C)C1CN(C[C@@H](OC2=C(C=CC=N2)C#N)[C@@H](O1)C1=CC(F)=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=ILUODYYQZBORFR-KGNCLDLBSA-N
Formula
C22H23ClFN3O4
Mass
447.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
- Subclass 3-pyridinecarbonitriles
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Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
3-pyridinecarbonitriles
Intermediate Tree Nodes
Not available
Direct Parent
3-pyridinecarbonitriles
Alternative Parents
1,4-oxazepines Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Carbamic acids Oxacyclic compounds Azacyclic compounds Nitriles Dialkyl ethers Organofluorides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-pyridinecarbonitrile - Para-oxazepine - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - Oxacycle - Azacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organofluoride - Organochloride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.
External Descriptors
Not available