Compound Identification
SMILES
COC(=O)N1[C@@H]2CC[C@H]1[C@@H](C2)C1=CN=C(Cl)C=C1
InChIKey
InChIKey=MTBXKSJYQUUYAQ-VWYCJHECSA-N
Formula
C13H15ClN2O2
Mass
266.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Epibatidine analogues
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Epibatidine analogues
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Epibatidine analogues
Alternative Parents
Pyrrolidinylpyridines Pyrrolidine carboxylic acids 2-halopyridines Aryl chlorides Methylcarbamates Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epibatidine-skeleton - Pyrrolidinylpyridine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Methylcarbamate - Heteroaromatic compound - Carbamic acid ester - Pyrrolidine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as epibatidine analogues. These are compounds containing an epibatidine moiety, with a structure characterized by a 2-chloropyridine moiety connected to an 7-azabicyclo[2.2.1]heptane in exo position.
External Descriptors
Not available