6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine

C15H12Br2ClN3 — CID 107576204

IUPAC6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine
SMILESCc1cc(Br)cc(-n2c(C(C)Cl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C15H12Br2ClN3/c1-8-3-10(16)5-12(4-8)21-14(9(2)18)20-13-6-11(17)7-19-15(13)21/h3-7,9H,1-2H3
InChIKeyXFGHLYAWHHVJBB-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.55
Rot. Bonds2

About 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine

6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine (PubChem CID 107576204) has the molecular formula C15H12Br2ClN3 and a molecular weight of 429.54 g/mol. Its IUPAC name is 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine
PubChem CID107576204
Molecular FormulaC15H12Br2ClN3
Molecular Weight429.54 g/mol
Exact Mass426.91
IUPAC Name6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine
SMILESCc1cc(Br)cc(-n2c(C(C)Cl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C15H12Br2ClN3/c1-8-3-10(16)5-12(4-8)21-14(9(2)18)20-13-6-11(17)7-19-15(13)21/h3-7,9H,1-2H3
InChIKeyXFGHLYAWHHVJBB-UHFFFAOYSA-N
XLogP5.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)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

Related Compounds

6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280600
6-bromo-2-(1-chloroethyl)-3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 79280598
2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279306
6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole
CID 107576139
6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278037
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79302304
6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine
CID 79302816
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 79301882
6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79302839
6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79278437
2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301562

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine (CID 107576204) is 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine is Cc1cc(Br)cc(-n2c(C(C)Cl)nc3cc(Br)cnc32)c1.
What is the InChIKey of 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine?
The InChIKey is XFGHLYAWHHVJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClN3/c1-8-3-10(16)5-12(4-8)21-14(9(2)18)20-13-6-11(17)7-19-15(13)21/h3-7,9H,1-2H3.
What are the key properties of 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine?
6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine has a molecular weight of 429.54 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 107576204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).