6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine

C11H6BrF2N3O — CID 167825631

IUPAC6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)c1ccc(-c2nc3ncc(Br)cc3[nH]2)o1
InChIInChI=1S/C11H6BrF2N3O/c12-5-3-6-10(15-4-5)17-11(16-6)8-2-1-7(18-8)9(13)14/h1-4,9H,(H,15,16,17)
InChIKeyUUYRQGLFEXFIFV-UHFFFAOYSA-N
MW314.09 g/mol
LogP3.92
Rot. Bonds2

About 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 167825631) has the molecular formula C11H6BrF2N3O and a molecular weight of 314.09 g/mol. Its IUPAC name is 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID167825631
Molecular FormulaC11H6BrF2N3O
Molecular Weight314.09 g/mol
Exact Mass312.97
IUPAC Name6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)c1ccc(-c2nc3ncc(Br)cc3[nH]2)o1
InChIInChI=1S/C11H6BrF2N3O/c12-5-3-6-10(15-4-5)17-11(16-6)8-2-1-7(18-8)9(13)14/h1-4,9H,(H,15,16,17)
InChIKeyUUYRQGLFEXFIFV-UHFFFAOYSA-N
XLogP3.92
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine (CID 167825631) is 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine is FC(F)c1ccc(-c2nc3ncc(Br)cc3[nH]2)o1.
What is the InChIKey of 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is UUYRQGLFEXFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2N3O/c12-5-3-6-10(15-4-5)17-11(16-6)8-2-1-7(18-8)9(13)14/h1-4,9H,(H,15,16,17).
What are the key properties of 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 314.09 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[5-(difluoromethyl)furan-2-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 167825631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).