3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one

C15H14BrNO3 — CID 170972763

IUPAC3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2cc(Br)ccc2C)c1=O
InChIInChI=1S/C15H14BrNO3/c1-8-4-5-11(16)7-12(8)17-9(2)6-13(19)14(10(3)18)15(17)20/h4-7,19H,1-3H3
InChIKeyHFXUUIAERJWTPN-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.13
Rot. Bonds2

About 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one

3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 170972763) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID170972763
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2cc(Br)ccc2C)c1=O
InChIInChI=1S/C15H14BrNO3/c1-8-4-5-11(16)7-12(8)17-9(2)6-13(19)14(10(3)18)15(17)20/h4-7,19H,1-3H3
InChIKeyHFXUUIAERJWTPN-UHFFFAOYSA-N
XLogP3.13
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
CID 54678218
1-(5-bromo-2-methylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 43805801
3-(5-bromo-2-methylphenyl)-4-methyl-1H-imidazol-2-one
CID 165460470
6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one
CID 54678229
2,6-bis(5-bromo-2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1097767
2-[1-(5-bromo-2-methylphenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43806571
1-(5-bromo-2-methylphenyl)-3,5-dimethylpyrazole
CID 130121149
1-(5-bromo-2-methylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541336
2-[[4-(5-bromo-2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 62898801
1-(5-bromo-2-methylphenyl)piperidine-2,6-dione
CID 43806726
N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide
CID 54693415
1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 102516841

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one (CID 170972763) is 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one is CC(=O)c1c(O)cc(C)n(-c2cc(Br)ccc2C)c1=O.
What is the InChIKey of 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is HFXUUIAERJWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-8-4-5-11(16)7-12(8)17-9(2)6-13(19)14(10(3)18)15(17)20/h4-7,19H,1-3H3.
What are the key properties of 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one?
3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 336.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(5-bromo-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 170972763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).