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

C13H9BrFN3 — CID 114560120

IUPAC2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3c(F)cccc3Br)[nH]c2c1
InChIInChI=1S/C13H9BrFN3/c1-7-5-10-12(16-6-7)18-13(17-10)11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,16,17,18)
InChIKeyLVPJQXGWBBHWTA-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.83
Rot. Bonds1

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

2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 114560120) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID114560120
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(-c3c(F)cccc3Br)[nH]c2c1
InChIInChI=1S/C13H9BrFN3/c1-7-5-10-12(16-6-7)18-13(17-10)11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,16,17,18)
InChIKeyLVPJQXGWBBHWTA-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-bromo-6-fluorophenyl)-7H-purine
CID 114560138
2-(3-bromo-2-methylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795555
2-(2-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79015323
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114560132
2-(5-bromo-2-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79796387
6-methyl-2-phenyl-1H-imidazo[4,5-b]pyridine
CID 79015212
6-bromo-2-(2-bromo-6-fluorophenyl)-1H-benzimidazole
CID 114560115
2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 114560127
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131
2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 114003900
2-fluoro-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79795786
6-methyl-2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine
CID 79796383

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine (CID 114560120) is 2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(-c3c(F)cccc3Br)[nH]c2c1.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is LVPJQXGWBBHWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c1-7-5-10-12(16-6-7)18-13(17-10)11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine?
2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 306.14 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 114560120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).