3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one

C13H12FNO2S — CID 135045712

IUPAC3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(Sc2ccc(F)cc2)c(=O)n1C
InChIInChI=1S/C13H12FNO2S/c1-8-7-11(16)12(13(17)15(8)2)18-10-5-3-9(14)4-6-10/h3-7,16H,1-2H3
InChIKeyQNBFTWILKZFYMZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.69
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one

3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 135045712) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID135045712
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(Sc2ccc(F)cc2)c(=O)n1C
InChIInChI=1S/C13H12FNO2S/c1-8-7-11(16)12(13(17)15(8)2)18-10-5-3-9(14)4-6-10/h3-7,16H,1-2H3
InChIKeyQNBFTWILKZFYMZ-UHFFFAOYSA-N
XLogP2.69
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Fluorophenyl)sulfanyl-4-hydroxy-7-methyl-1,6-bis(prop-2-enyl)-1,6-naphthyridine-2,5-dione
CID 59241572
4-Hydroxy-1,6-dimethyl-3-phenylthiohydropyridin-2-one
CID 54699340
3-[(4-chlorophenyl)sulfanyl]-4-hydroxy-1,6-dimethyl-2(1H)-pyridinone
CID 54710948
3-(4-Bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
CID 135033848
4-Hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one
CID 135045684
3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54704564
4-hydroxy-6-methyl-3-(phenylsulfanyl)pyridin-2(1H)-one
CID 54707529
3-(Benzenesulfonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 54712816

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one (CID 135045712) is 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one is Cc1cc(O)c(Sc2ccc(F)cc2)c(=O)n1C.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is QNBFTWILKZFYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-8-7-11(16)12(13(17)15(8)2)18-10-5-3-9(14)4-6-10/h3-7,16H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 265.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 135045712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).