6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

C13H9BrClN3S — CID 3887128

IUPAC6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1ccccc1CSc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C13H9BrClN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,16,17,18)
InChIKeyCZECHOMPTGSLAE-UHFFFAOYSA-N
MW354.66 g/mol
LogP4.67
Rot. Bonds3

About 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 3887128) has the molecular formula C13H9BrClN3S and a molecular weight of 354.66 g/mol. Its IUPAC name is 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
PubChem CID3887128
Molecular FormulaC13H9BrClN3S
Molecular Weight354.66 g/mol
Exact Mass352.94
IUPAC Name6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESClc1ccccc1CSc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C13H9BrClN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,16,17,18)
InChIKeyCZECHOMPTGSLAE-UHFFFAOYSA-N
XLogP4.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.66
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-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-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (CID 3887128) is 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is Clc1ccccc1CSc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is CZECHOMPTGSLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,16,17,18).
What are the key properties of 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 354.66 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(2-chlorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 3887128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).