6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one

C8H7BrN2O — CID 156627275

IUPAC6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one
SMILESCC1=NC(=O)C2C=CC(Br)=CN12
InChIInChI=1S/C8H7BrN2O/c1-5-10-8(12)7-3-2-6(9)4-11(5)7/h2-4,7H,1H3
InChIKeyOAQDKMOLTRJHPK-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.42
Rot. Bonds

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

6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one (PubChem CID 156627275) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one
PubChem CID156627275
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one
SMILESCC1=NC(=O)C2C=CC(Br)=CN12
InChIInChI=1S/C8H7BrN2O/c1-5-10-8(12)7-3-2-6(9)4-11(5)7/h2-4,7H,1H3
InChIKeyOAQDKMOLTRJHPK-UHFFFAOYSA-N
XLogP1.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine
CID 144666416
2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 98055653
7-bromo-3-ethylpyrido[1,2-a]pyrimidine-2,4-dione
CID 165354550
6-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 163524834
6-bromo-3-(1-methylpiperidin-4-yl)-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 143183418
6-bromo-3,3-dimethylimidazo[1,2-a]pyridin-2-one
CID 16751727
7-bromo-4aH-quinazolin-4-one
CID 71304026
1-methyl-7aH-pyrazolo[4,3-b]pyridin-5-one
CID 74675878
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
(3R,4R)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one
CID 45092682
7-bromo-4-methyl-4aH-quinoline-2-thione
CID 78204873
6-bromospiro[1,8a-dihydroimidazo[1,2-a]pyridine-3,1'-cyclohexane]-2-one
CID 163646486

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one (CID 156627275) is 6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one is CC1=NC(=O)C2C=CC(Br)=CN12.
What is the InChIKey of 6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one?
The InChIKey is OAQDKMOLTRJHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-5-10-8(12)7-3-2-6(9)4-11(5)7/h2-4,7H,1H3.
What are the key properties of 6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one?
6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one has a molecular weight of 227.06 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 156627275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).