(1R,2R,4S)-2-(6-Chloropyridin-3-yl)-7-methyl-7-azabicyclo[2.2.1]heptane

HCID 11601009

Notes Reactions

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Basic information

Standard SMILES: CN1C2CCC1C(c1ccc(Cl)nc1)C2
InChIKey: HLNPMOXPJPCMLY-UHFFFAOYSA-N
Molecular formula: C12H15ClN2
Average molar mass: 222.71 g/mol

Names & identifiers

Preferred name: (1R,2R,4S)-2-(6-Chloropyridin-3-yl)-7-methyl-7-azabicyclo[2.2.1]heptane
IUPAC: 2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane

Names & synonyms

CMI-489CHEMBL291498N-methylepibatidineN-methyl EpibatidineSCHEMBL10105083222/224 N-Methyl-EpibatidineBDBM500794532-(6-Chloro-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2.2.1]heptane(1R,2R,4S)-2-(6-Chloropyridin-3-yl)-7-methyl-7-azabicyclo[2.2.1]heptane

Database identifiers

PubChem CID: 11601009
ChEMBL: CHEMBL291498
Nikkaji: J1.163.363C

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 16.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 246

Experimental & physicochemical properties

LogP2.42

Related reactions

2 records

New reaction record

HRID 1721447As productuspto-grants-1996_04

HRID 2256401As productuspto-grants-1997_08

Compound notes

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