3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one

C13H13NO2S — CID 71187230

IUPAC3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one
SMILESCc1ccc(CSc2c[nH]c(=O)c(O)c2)cc1
InChIInChI=1S/C13H13NO2S/c1-9-2-4-10(5-3-9)8-17-11-6-12(15)13(16)14-7-11/h2-7,15H,8H2,1H3,(H,14,16)
InChIKeyWSOOJEKUDGHUPJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.68
Rot. Bonds3

About 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one

3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one (PubChem CID 71187230) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one
PubChem CID71187230
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one
SMILESCc1ccc(CSc2c[nH]c(=O)c(O)c2)cc1
InChIInChI=1S/C13H13NO2S/c1-9-2-4-10(5-3-9)8-17-11-6-12(15)13(16)14-7-11/h2-7,15H,8H2,1H3,(H,14,16)
InChIKeyWSOOJEKUDGHUPJ-UHFFFAOYSA-N
XLogP2.68
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-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-Hydroxy-5-(2-Phenylethyl)pyridin-2(1h)-One
CID 71187181
5-Phenyl-3-hydroxypyridin-2(1H)-one
CID 67086300
3-hydroxy-4-phenyl-1H-pyridin-2-one
CID 72204352
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-phenylprop-2-enamide
CID 71960789
3-Hydroxy-5-[(3-methylbenzyl)sulfanyl]pyridin-2(1H)-one
CID 71185949
5-[(2-Chlorobenzyl)sulfanyl]-3-hydroxypyridin-2(1H)-one
CID 71185977
5-[(4-ethylbenzyl)sulfanyl]-3-hydroxypyridin-2(1H)-one
CID 71186095
3-Hydroxy-5-[2-(3-methylphenyl)ethyl]pyridin-2(1H)-one
CID 71186321
3-Hydroxy-5-[2-(4-methylphenyl)ethyl]pyridin-2(1H)-one
CID 71186360
5-[(4-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
CID 71187124
3-Hydroxy-5-[(1-phenylethyl)sulfanyl]pyridin-2(1H)-one
CID 71187151
5-[(3-fluorobenzyl)sulfanyl]-3-hydroxypyridin-2(1H)-one
CID 71187154

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one (CID 71187230) is 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one is Cc1ccc(CSc2c[nH]c(=O)c(O)c2)cc1.
What is the InChIKey of 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one?
The InChIKey is WSOOJEKUDGHUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-2-4-10(5-3-9)8-17-11-6-12(15)13(16)14-7-11/h2-7,15H,8H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one?
3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one has a molecular weight of 247.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-1H-pyridin-2-one is sourced from PubChem (CID 71187230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).