1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine

C14H9BrF2N2O — CID 84745174

IUPAC1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine
SMILESCOc1ccc2c(Br)nc(-c3ccc(F)c(F)c3)n2c1
InChIInChI=1S/C14H9BrF2N2O/c1-20-9-3-5-12-13(15)18-14(19(12)7-9)8-2-4-10(16)11(17)6-8/h2-7H,1H3
InChIKeyASNXQDIJSYCFOG-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.05
Rot. Bonds2

About 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine

1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine (PubChem CID 84745174) has the molecular formula C14H9BrF2N2O and a molecular weight of 339.14 g/mol. Its IUPAC name is 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine
PubChem CID84745174
Molecular FormulaC14H9BrF2N2O
Molecular Weight339.14 g/mol
Exact Mass337.99
IUPAC Name1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine
SMILESCOc1ccc2c(Br)nc(-c3ccc(F)c(F)c3)n2c1
InChIInChI=1S/C14H9BrF2N2O/c1-20-9-3-5-12-13(15)18-14(19(12)7-9)8-2-4-10(16)11(17)6-8/h2-7H,1H3
InChIKeyASNXQDIJSYCFOG-UHFFFAOYSA-N
XLogP4.05
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine (CID 84745174) is 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine is COc1ccc2c(Br)nc(-c3ccc(F)c(F)c3)n2c1.
What is the InChIKey of 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine?
The InChIKey is ASNXQDIJSYCFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O/c1-20-9-3-5-12-13(15)18-14(19(12)7-9)8-2-4-10(16)11(17)6-8/h2-7H,1H3.
What are the key properties of 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine?
1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine has a molecular weight of 339.14 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine is sourced from PubChem (CID 84745174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).