3-bromo-1,5-dimethylpyridin-2-one

C7H8BrNO — CID 74890566

IUPAC3-bromo-1,5-dimethylpyridin-2-one
SMILESCc1cc(Br)c(=O)n(C)c1
InChIInChI=1S/C7H8BrNO/c1-5-3-6(8)7(10)9(2)4-5/h3-4H,1-2H3
InChIKeyMQPKNOVIIQDNIU-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.46
Rot. Bonds

About 3-bromo-1,5-dimethylpyridin-2-one

3-bromo-1,5-dimethylpyridin-2-one (PubChem CID 74890566) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 3-bromo-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1,5-dimethylpyridin-2-one
PubChem CID74890566
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name3-bromo-1,5-dimethylpyridin-2-one
SMILESCc1cc(Br)c(=O)n(C)c1
InChIInChI=1S/C7H8BrNO/c1-5-3-6(8)7(10)9(2)4-5/h3-4H,1-2H3
InChIKeyMQPKNOVIIQDNIU-UHFFFAOYSA-N
XLogP1.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-1,5-dimethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Bromo-2-hydroxy-5-methylpyridine
CID 3725261
5-Bromo-1,3-dimethylpyridin-2(1H)-one
CID 12272664
3-bromo-1,4-dimethylpyridin-2(1H)-one
CID 13463814
3-Bromo-1-methyl-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 53217378
5-Bromo-1,4-dimethyl-1,2-dihydropyridin-2-one
CID 67281826
1-Vinyl-5-methyl-2-pyridone
CID 14323033
3-Bromo-1-isopropyl-5-(trifluoromethyl)pyridin-2(1H)-one
CID 53217377
3-Fluoro-1,5-dimethylpyridin-2-one
CID 66924423
1-(Fluoromethyl)-5-methylpyridin-2-one
CID 122579453
1-Methyl-3-methylbromanuidyl-5-(trifluoromethyl)pyridin-2-one
CID 163766197
3-Bromo-1-(difluoromethyl)-5-methylpyridin-2-one
CID 166542266
2(1H)-Pyridone, 1,5-dimethyl-
CID 565112

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,5-dimethylpyridin-2-one?
The IUPAC name of 3-bromo-1,5-dimethylpyridin-2-one (CID 74890566) is 3-bromo-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 3-bromo-1,5-dimethylpyridin-2-one?
The canonical SMILES for 3-bromo-1,5-dimethylpyridin-2-one is Cc1cc(Br)c(=O)n(C)c1.
What is the InChIKey of 3-bromo-1,5-dimethylpyridin-2-one?
The InChIKey is MQPKNOVIIQDNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-3-6(8)7(10)9(2)4-5/h3-4H,1-2H3.
What are the key properties of 3-bromo-1,5-dimethylpyridin-2-one?
3-bromo-1,5-dimethylpyridin-2-one has a molecular weight of 202.05 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 74890566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).