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

C13H9BrClN3 — CID 35726295

IUPAC6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nc(-c3ccc(Cl)cc3)[nH]c2cc1Br
InChIInChI=1S/C13H9BrClN3/c1-7-10(14)6-11-13(16-7)18-12(17-11)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,16,17,18)
InChIKeyCHHMJUSAHLOLTB-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.35
Rot. Bonds1

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

6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 35726295) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID35726295
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nc(-c3ccc(Cl)cc3)[nH]c2cc1Br
InChIInChI=1S/C13H9BrClN3/c1-7-10(14)6-11-13(16-7)18-12(17-11)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,16,17,18)
InChIKeyCHHMJUSAHLOLTB-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine (CID 35726295) is 6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine is Cc1nc2nc(-c3ccc(Cl)cc3)[nH]c2cc1Br.
What is the InChIKey of 6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is CHHMJUSAHLOLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c1-7-10(14)6-11-13(16-7)18-12(17-11)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,16,17,18).
What are the key properties of 6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 322.59 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-chlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 35726295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).