2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

C17H16BrClN2 — CID 75113145

IUPAC2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESClc1ncc(C2CC3CCC2N3)cc1-c1cccc(Br)c1
InChIInChI=1S/C17H16BrClN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2
InChIKeyAZUKJENWDLWCOX-UHFFFAOYSA-N
MW363.69 g/mol
LogP4.77
Rot. Bonds2

About 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 75113145) has the molecular formula C17H16BrClN2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
PubChem CID75113145
Molecular FormulaC17H16BrClN2
Molecular Weight363.69 g/mol
Exact Mass362.02
IUPAC Name2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESClc1ncc(C2CC3CCC2N3)cc1-c1cccc(Br)c1
InChIInChI=1S/C17H16BrClN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2
InChIKeyAZUKJENWDLWCOX-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.69
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-[(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-3-pyridinyl]aniline;dihydrochloride
CID 45378953
2-[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 75113144
(1R,2R,4S)-2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10901613
(1R,2R,4S)-2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 11197491
(1R,2S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10081807
(1R,2R,4S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 854023
(1S,2R,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11031065
2-[6-fluoro-5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45266019
4-[5-[(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoro-3-pyridinyl]aniline
CID 11336173
2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45266048
(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11369535
(1R,2R,4S)-2-(5,6-difluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11830689

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (CID 75113145) is 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is Clc1ncc(C2CC3CCC2N3)cc1-c1cccc(Br)c1.
What is the InChIKey of 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is AZUKJENWDLWCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2.
What are the key properties of 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 363.69 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-6-chloro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 75113145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).