9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane

C15H21ClN2 — CID 57485609

IUPAC9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
SMILESClc1ccc(C2CC3CCNCCC(C3)C2)cn1
InChIInChI=1S/C15H21ClN2/c16-15-2-1-13(10-18-15)14-8-11-3-5-17-6-4-12(7-11)9-14/h1-2,10-12,14,17H,3-9H2
InChIKeyZNWAUBMMHRAZKO-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.62
Rot. Bonds1

About 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane

9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane (PubChem CID 57485609) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane.

Molecular Properties

Compound Name9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
PubChem CID57485609
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
SMILESClc1ccc(C2CC3CCNCCC(C3)C2)cn1
InChIInChI=1S/C15H21ClN2/c16-15-2-1-13(10-18-15)14-8-11-3-5-17-6-4-12(7-11)9-14/h1-2,10-12,14,17H,3-9H2
InChIKeyZNWAUBMMHRAZKO-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane 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 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane?
The IUPAC name of 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane (CID 57485609) is 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane.
What is the SMILES notation for 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane?
The canonical SMILES for 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane is Clc1ccc(C2CC3CCNCCC(C3)C2)cn1.
What is the InChIKey of 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane?
The InChIKey is ZNWAUBMMHRAZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-15-2-1-13(10-18-15)14-8-11-3-5-17-6-4-12(7-11)9-14/h1-2,10-12,14,17H,3-9H2.
What are the key properties of 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane?
9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane has a molecular weight of 264.80 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane is sourced from PubChem (CID 57485609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).