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

C13H9BrFN3O — CID 23025641

IUPAC6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1F
InChIInChI=1S/C13H9BrFN3O/c1-19-11-3-2-7(4-9(11)15)12-17-10-5-8(14)6-16-13(10)18-12/h2-6H,1H3,(H,16,17,18)
InChIKeyYEZDLLCCCHCBDJ-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.54
Rot. Bonds2

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

6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23025641) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID23025641
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1F
InChIInChI=1S/C13H9BrFN3O/c1-19-11-3-2-7(4-9(11)15)12-17-10-5-8(14)6-16-13(10)18-12/h2-6H,1H3,(H,16,17,18)
InChIKeyYEZDLLCCCHCBDJ-UHFFFAOYSA-N
XLogP3.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 23025641) is 6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1F.
What is the InChIKey of 6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is YEZDLLCCCHCBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c1-19-11-3-2-7(4-9(11)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-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 322.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).