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

C10H10BrN3O — CID 50987378

IUPAC6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C10H10BrN3O/c11-6-4-7-9(12-5-6)14-10(13-7)8-2-1-3-15-8/h4-5,8H,1-3H2,(H,12,13,14)
InChIKeyISQJHJLODREZKE-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.57
Rot. Bonds1

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

6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 50987378) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID50987378
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C10H10BrN3O/c11-6-4-7-9(12-5-6)14-10(13-7)8-2-1-3-15-8/h4-5,8H,1-3H2,(H,12,13,14)
InChIKeyISQJHJLODREZKE-UHFFFAOYSA-N
XLogP2.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine (CID 50987378) is 6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(C3CCCO3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ISQJHJLODREZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-6-4-7-9(12-5-6)14-10(13-7)8-2-1-3-15-8/h4-5,8H,1-3H2,(H,12,13,14).
What are the key properties of 6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 268.11 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(oxolan-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 50987378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).