6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine

C6H3BrClN3 — CID 12782385

IUPAC6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine
SMILESClc1nc2nc[nH]c2cc1Br
InChIInChI=1S/C6H3BrClN3/c7-3-1-4-6(10-2-9-4)11-5(3)8/h1-2H,(H,9,10,11)
InChIKeyYFPJFGMOCWFLNO-UHFFFAOYSA-N
MW232.47 g/mol
LogP2.37
Rot. Bonds

About 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine

6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine (PubChem CID 12782385) has the molecular formula C6H3BrClN3 and a molecular weight of 232.47 g/mol. Its IUPAC name is 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine
PubChem CID12782385
Molecular FormulaC6H3BrClN3
Molecular Weight232.47 g/mol
Exact Mass230.92
IUPAC Name6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine
SMILESClc1nc2nc[nH]c2cc1Br
InChIInChI=1S/C6H3BrClN3/c7-3-1-4-6(10-2-9-4)11-5(3)8/h1-2H,(H,9,10,11)
InChIKeyYFPJFGMOCWFLNO-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine 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 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine (CID 12782385) is 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine is Clc1nc2nc[nH]c2cc1Br.
What is the InChIKey of 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine?
The InChIKey is YFPJFGMOCWFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3/c7-3-1-4-6(10-2-9-4)11-5(3)8/h1-2H,(H,9,10,11).
What are the key properties of 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine?
6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine has a molecular weight of 232.47 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 12782385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).