3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one

C14H12FNO3 — CID 54693422

IUPAC3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H12FNO3/c1-8-7-12(18)13(9(2)17)14(19)16(8)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3
InChIKeyFYQMEFAWDKZUJM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.19
Rot. Bonds2

About 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one

3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54693422) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID54693422
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C14H12FNO3/c1-8-7-12(18)13(9(2)17)14(19)16(8)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3
InChIKeyFYQMEFAWDKZUJM-UHFFFAOYSA-N
XLogP2.19
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 612407
3-acetyl-4-hydroxy-6-isopropyl-1-phenyl-2(1H)-pyridinone
CID 54686079
2,6-Dimethyl-4-oxo-1-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 227374
3-acetyl-4-hydroxy-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 54687627
Methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinecarboxylate
CID 54708955
1-(2-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 618374
1-(4-Fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 685921
1-(4-Fluorophenyl)-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2732627
2,4-Dimethyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid
CID 39870389
1-(3-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 685930
(2Z)-3-[N-(2-fluorophenyl)carbamoyl]but-2-enoic acid
CID 7344015
1-(4-Fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 21081529

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one (CID 54693422) is 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one is CC(=O)c1c(O)cc(C)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is FYQMEFAWDKZUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-7-12(18)13(9(2)17)14(19)16(8)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3.
What are the key properties of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one?
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 261.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54693422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).