4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one

C12H11NO2S — CID 135034483

IUPAC4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one
SMILESCc1ccc(Sc2c(O)cc[nH]c2=O)cc1
InChIInChI=1S/C12H11NO2S/c1-8-2-4-9(5-3-8)16-11-10(14)6-7-13-12(11)15/h2-7H,1H3,(H2,13,14,15)
InChIKeyHQRMYIYHKPMFRR-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.54
Rot. Bonds2

About 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one

4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one (PubChem CID 135034483) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one
PubChem CID135034483
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one
SMILESCc1ccc(Sc2c(O)cc[nH]c2=O)cc1
InChIInChI=1S/C12H11NO2S/c1-8-2-4-9(5-3-8)16-11-10(14)6-7-13-12(11)15/h2-7H,1H3,(H2,13,14,15)
InChIKeyHQRMYIYHKPMFRR-UHFFFAOYSA-N
XLogP2.54
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylphenyl)sulfanyl-2-oxo-1H-pyridine-3-carbonitrile
CID 71575181
5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one
CID 141343286
3-[(4-Methylphenyl)sulfanyl]pyridin-2(1H)-one
CID 13929736
3-Tosylpyridin-2(1h)-one
CID 132276843
3-(Tolylsulfonyl)pyridin-2-one
CID 132276952
4-Hydroxy-1,6-dimethyl-3-(3-methylphenyl)sulfanylpyridin-2-one
CID 135045684
3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one
CID 162405584
2-Hydroxy-4-(4-methylthiophenyl)pyridine
CID 53217788
2-Hydroxy-4-(4-methylsulfonylphenyl)pyridine
CID 53218126
3-Hydroxy-1-[(4-methylphenyl)sulfanylmethyl]pyridin-2-one
CID 143656606
2-Hydroxy-4-(2-methylthiophenyl)pyridine
CID 53217776
2-Hydroxy-4-(3-methylthiophenyl)pyridine
CID 53217782

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one (CID 135034483) is 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one is Cc1ccc(Sc2c(O)cc[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one?
The InChIKey is HQRMYIYHKPMFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-2-4-9(5-3-8)16-11-10(14)6-7-13-12(11)15/h2-7H,1H3,(H2,13,14,15).
What are the key properties of 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one?
4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one has a molecular weight of 233.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methylphenyl)sulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 135034483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).