1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine

C9H9BrN2O — CID 130066396

IUPAC1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine
SMILESCOc1cc(C)cn2cnc(Br)c12
InChIInChI=1S/C9H9BrN2O/c1-6-3-7(13-2)8-9(10)11-5-12(8)4-6/h3-5H,1-2H3
InChIKeyJMQHVWAYZOWFPU-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.41
Rot. Bonds1

About 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine

1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine (PubChem CID 130066396) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine
PubChem CID130066396
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine
SMILESCOc1cc(C)cn2cnc(Br)c12
InChIInChI=1S/C9H9BrN2O/c1-6-3-7(13-2)8-9(10)11-5-12(8)4-6/h3-5H,1-2H3
InChIKeyJMQHVWAYZOWFPU-UHFFFAOYSA-N
XLogP2.41
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine (CID 130066396) is 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine is COc1cc(C)cn2cnc(Br)c12.
What is the InChIKey of 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine?
The InChIKey is JMQHVWAYZOWFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-6-3-7(13-2)8-9(10)11-5-12(8)4-6/h3-5H,1-2H3.
What are the key properties of 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine?
1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine has a molecular weight of 241.09 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-methoxy-6-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 130066396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).