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

C11H8BrN3O — CID 60670805

IUPAC6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3ncc(Br)cc3[nH]2)o1
InChIInChI=1S/C11H8BrN3O/c1-6-2-3-9(16-6)11-14-8-4-7(12)5-13-10(8)15-11/h2-5H,1H3,(H,13,14,15)
InChIKeyWKQVKCYCEAFGFY-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.29
Rot. Bonds1

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

6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 60670805) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID60670805
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3ncc(Br)cc3[nH]2)o1
InChIInChI=1S/C11H8BrN3O/c1-6-2-3-9(16-6)11-14-8-4-7(12)5-13-10(8)15-11/h2-5H,1H3,(H,13,14,15)
InChIKeyWKQVKCYCEAFGFY-UHFFFAOYSA-N
XLogP3.29
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.29
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-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine (CID 60670805) is 6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine is Cc1ccc(-c2nc3ncc(Br)cc3[nH]2)o1.
What is the InChIKey of 6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is WKQVKCYCEAFGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c1-6-2-3-9(16-6)11-14-8-4-7(12)5-13-10(8)15-11/h2-5H,1H3,(H,13,14,15).
What are the key properties of 6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 278.11 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 60670805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).