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

C13H9BrFN3O — CID 65483476

IUPAC2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cc(F)ccc3Br)nc2n1
InChIInChI=1S/C13H9BrFN3O/c1-19-11-5-4-10-13(17-11)18-12(16-10)8-6-7(15)2-3-9(8)14/h2-6H,1H3,(H,16,17,18)
InChIKeyIBLIHVNVJKNKEW-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.54
Rot. Bonds2

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

2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 65483476) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
PubChem CID65483476
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cc(F)ccc3Br)nc2n1
InChIInChI=1S/C13H9BrFN3O/c1-19-11-5-4-10-13(17-11)18-12(16-10)8-6-7(15)2-3-9(8)14/h2-6H,1H3,(H,16,17,18)
InChIKeyIBLIHVNVJKNKEW-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 2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine (CID 65483476) is 2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(-c3cc(F)ccc3Br)nc2n1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is IBLIHVNVJKNKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c1-19-11-5-4-10-13(17-11)18-12(16-10)8-6-7(15)2-3-9(8)14/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
2-(2-bromo-5-fluorophenyl)-5-methoxy-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 2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 65483476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).