3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane

C10H11BrN2 — CID 118961505

IUPAC3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccc(N2CC3CC3C2)nc1
InChIInChI=1S/C10H11BrN2/c11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13/h1-2,4,7-8H,3,5-6H2
InChIKeyJHVWRECHANTLMC-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.30
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane

3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 118961505) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
PubChem CID118961505
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
SMILESBrc1ccc(N2CC3CC3C2)nc1
InChIInChI=1S/C10H11BrN2/c11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13/h1-2,4,7-8H,3,5-6H2
InChIKeyJHVWRECHANTLMC-UHFFFAOYSA-N
XLogP2.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane (CID 118961505) is 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane is Brc1ccc(N2CC3CC3C2)nc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is JHVWRECHANTLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-9-1-2-10(12-4-9)13-5-7-3-8(7)6-13/h1-2,4,7-8H,3,5-6H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane?
3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 239.12 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 118961505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).