4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one

C13H13NO2S — CID 54699340

IUPAC4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one
SMILESCc1cc(O)c(Sc2ccccc2)c(=O)n1C
InChIInChI=1S/C13H13NO2S/c1-9-8-11(15)12(13(16)14(9)2)17-10-6-4-3-5-7-10/h3-8,15H,1-2H3
InChIKeyNIVZFPWLROYLKJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.55
Rot. Bonds2

About 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one

4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one (PubChem CID 54699340) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one
PubChem CID54699340
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one
SMILESCc1cc(O)c(Sc2ccccc2)c(=O)n1C
InChIInChI=1S/C13H13NO2S/c1-9-8-11(15)12(13(16)14(9)2)17-10-6-4-3-5-7-10/h3-8,15H,1-2H3
InChIKeyNIVZFPWLROYLKJ-UHFFFAOYSA-N
XLogP2.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one?
The IUPAC name of 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one (CID 54699340) is 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one is Cc1cc(O)c(Sc2ccccc2)c(=O)n1C.
What is the InChIKey of 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one?
The InChIKey is NIVZFPWLROYLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-8-11(15)12(13(16)14(9)2)17-10-6-4-3-5-7-10/h3-8,15H,1-2H3.
What are the key properties of 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one?
4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one has a molecular weight of 247.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,6-dimethyl-3-phenylsulfanylpyridin-2-one is sourced from PubChem (CID 54699340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).