1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one

C8H9BrN2O — CID 83893540

IUPAC1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one
SMILESCc1nc(Br)c2n1CCC(=O)C2
InChIInChI=1S/C8H9BrN2O/c1-5-10-8(9)7-4-6(12)2-3-11(5)7/h2-4H2,1H3
InChIKeyNLGAYQXZWBJIAV-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.47
Rot. Bonds

About 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one

1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one (PubChem CID 83893540) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one
PubChem CID83893540
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one
SMILESCc1nc(Br)c2n1CCC(=O)C2
InChIInChI=1S/C8H9BrN2O/c1-5-10-8(9)7-4-6(12)2-3-11(5)7/h2-4H2,1H3
InChIKeyNLGAYQXZWBJIAV-UHFFFAOYSA-N
XLogP1.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one?
The IUPAC name of 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one (CID 83893540) is 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one.
What is the SMILES notation for 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one?
The canonical SMILES for 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one is Cc1nc(Br)c2n1CCC(=O)C2.
What is the InChIKey of 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one?
The InChIKey is NLGAYQXZWBJIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5-10-8(9)7-4-6(12)2-3-11(5)7/h2-4H2,1H3.
What are the key properties of 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one?
1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one has a molecular weight of 229.08 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-one is sourced from PubChem (CID 83893540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).