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

C14H12BrN3 — CID 79795555

IUPAC2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3cccc(Br)c3C)[nH]c2c1
InChIInChI=1S/C14H12BrN3/c1-8-6-12-14(16-7-8)18-13(17-12)10-4-3-5-11(15)9(10)2/h3-7H,1-2H3,(H,16,17,18)
InChIKeyZBAMJKQMVKWOKX-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.00
Rot. Bonds1

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

2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 79795555) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID79795555
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3cccc(Br)c3C)[nH]c2c1
InChIInChI=1S/C14H12BrN3/c1-8-6-12-14(16-7-8)18-13(17-12)10-4-3-5-11(15)9(10)2/h3-7H,1-2H3,(H,16,17,18)
InChIKeyZBAMJKQMVKWOKX-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine (CID 79795555) is 2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(-c3cccc(Br)c3C)[nH]c2c1.
What is the InChIKey of 2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZBAMJKQMVKWOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-8-6-12-14(16-7-8)18-13(17-12)10-4-3-5-11(15)9(10)2/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine?
2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 302.18 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79795555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).