3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one

C14H14BrNO3 — CID 54724185

IUPAC3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
SMILESCOc1cccc(C)c1-n1c(C)cc(O)c(Br)c1=O
InChIInChI=1S/C14H14BrNO3/c1-8-5-4-6-11(19-3)13(8)16-9(2)7-10(17)12(15)14(16)18/h4-7,17H,1-3H3
InChIKeyVPVCTFDQGKHNEC-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.93
Rot. Bonds2

About 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one

3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one (PubChem CID 54724185) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
PubChem CID54724185
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
SMILESCOc1cccc(C)c1-n1c(C)cc(O)c(Br)c1=O
InChIInChI=1S/C14H14BrNO3/c1-8-5-4-6-11(19-3)13(8)16-9(2)7-10(17)12(15)14(16)18/h4-7,17H,1-3H3
InChIKeyVPVCTFDQGKHNEC-UHFFFAOYSA-N
XLogP2.93
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-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-4-[(2,4-difluorophenyl)methoxy]-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 10238447
1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one
CID 102207415
2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
CID 622512
3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one
CID 139337965
4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167088612
4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 54677228
1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one
CID 155809153
2-[5-[(5-bromo-2-methoxyphenyl)methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 3985925
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82120124
4-bromo-3,5-dimethoxyphenol
CID 14339099
2-methoxyphenol;molecular bromine
CID 141484212

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one (CID 54724185) is 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one is COc1cccc(C)c1-n1c(C)cc(O)c(Br)c1=O.
What is the InChIKey of 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one?
The InChIKey is VPVCTFDQGKHNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-8-5-4-6-11(19-3)13(8)16-9(2)7-10(17)12(15)14(16)18/h4-7,17H,1-3H3.
What are the key properties of 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one?
3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one has a molecular weight of 324.17 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54724185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).