3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine

C9H9BrN2O — CID 117247026

IUPAC3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine
SMILESCOCc1nc(Br)n2ccccc12
InChIInChI=1S/C9H9BrN2O/c1-13-6-7-8-4-2-3-5-12(8)9(10)11-7/h2-5H,6H2,1H3
InChIKeyBWOGTSLRIFRZHB-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.24
Rot. Bonds2

About 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine

3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine (PubChem CID 117247026) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine
PubChem CID117247026
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine
SMILESCOCc1nc(Br)n2ccccc12
InChIInChI=1S/C9H9BrN2O/c1-13-6-7-8-4-2-3-5-12(8)9(10)11-7/h2-5H,6H2,1H3
InChIKeyBWOGTSLRIFRZHB-UHFFFAOYSA-N
XLogP2.24
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine (CID 117247026) is 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine is COCc1nc(Br)n2ccccc12.
What is the InChIKey of 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine?
The InChIKey is BWOGTSLRIFRZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-13-6-7-8-4-2-3-5-12(8)9(10)11-7/h2-5H,6H2,1H3.
What are the key properties of 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine?
3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine has a molecular weight of 241.09 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(methoxymethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117247026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).