4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one

C12H11NO2S — CID 54707529

IUPAC4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one
SMILESCc1cc(O)c(Sc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H11NO2S/c1-8-7-10(14)11(12(15)13-8)16-9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)
InChIKeyKJQBRCLQQPFGQV-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.54
Rot. Bonds2

About 4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one

4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one (PubChem CID 54707529) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one
PubChem CID54707529
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one
SMILESCc1cc(O)c(Sc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H11NO2S/c1-8-7-10(14)11(12(15)13-8)16-9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15)
InChIKeyKJQBRCLQQPFGQV-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one (CID 54707529) is 4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one is Cc1cc(O)c(Sc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one?
The InChIKey is KJQBRCLQQPFGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-7-10(14)11(12(15)13-8)16-9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15).
What are the key properties of 4-hydroxy-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one?
4-hydroxy-6-methyl-3-phenylsulfanyl-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-6-methyl-3-phenylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 54707529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).