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

C13H9BrFN3 — CID 81477184

IUPAC6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1F
InChIInChI=1S/C13H9BrFN3/c1-7-3-2-4-9(11(7)15)12-17-10-5-8(14)6-16-13(10)18-12/h2-6H,1H3,(H,16,17,18)
InChIKeyNCCQQEDXCLDFCY-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.83
Rot. Bonds1

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

6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 81477184) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID81477184
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1F
InChIInChI=1S/C13H9BrFN3/c1-7-3-2-4-9(11(7)15)12-17-10-5-8(14)6-16-13(10)18-12/h2-6H,1H3,(H,16,17,18)
InChIKeyNCCQQEDXCLDFCY-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine (CID 81477184) is 6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine is Cc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1F.
What is the InChIKey of 6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is NCCQQEDXCLDFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c1-7-3-2-4-9(11(7)15)12-17-10-5-8(14)6-16-13(10)18-12/h2-6H,1H3,(H,16,17,18).
What are the key properties of 6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(2-fluoro-3-methylphenyl)-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 6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81477184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).