1-[(6-Chloropyridin-3-YL)methyl]azepane

HCID 20115464
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Basic information

Standard SMILES
Clc1ccc(CN2CCCCCC2)cn1
InChIKey
AGGVYVAENQFVEE-UHFFFAOYSA-N
Molecular formula
C12H17ClN2
Average molar mass
224.73 g/mol

Names & identifiers

Preferred name
1-[(6-Chloropyridin-3-YL)methyl]azepane
IUPAC
1-[(6-chloro-3-pyridinyl)methyl]azepane

Names & synonyms

764715-35-71-[(6-CHLOROPYRIDIN-3-YL)METHYL]AZEPANE1-[(6-chloro-3-pyridinyl)methyl]hexahydro-1h-azepine1-((6-Chloropyridin-3-yl)methyl)azepaneSCHEMBL5040678AGGVYVAENQFVEE-UHFFFAOYSA-NAKOS0001519651-(6-Chloro-pyridin-3-ylmethyl)-azepaneEN300-1196660

Database identifiers

PubChem CID
20115464

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
16.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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