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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Related Compounds

3-bromo-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 117247004
N-[(3-bromoimidazo[1,5-a]pyridin-1-yl)methyl]cyclopentanamine
CID 117246996
1-(4-methoxybutyl)-3-methylimidazo[1,5-a]pyridine
CID 143109237
1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine
CID 112552822
3-methyl-1-propylimidazo[1,5-a]pyridine
CID 145078679
1-bromo-3-tert-butylimidazo[1,5-a]pyridine
CID 4738514
3-bromo-1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 172515069
methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 3-prop-1-en-2-ylimidazo[1,5-a]pyridine-1-carboxylate;propane;trifluoro(prop-1-en-2-yl)boranuide
CID 161363631
[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine
CID 28752221
3-chloro-1-(methylsulfanylmethyl)imidazo[1,5-a]pyridine
CID 117247095
2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine
CID 28798022

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).