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

C13H12ClNO2S — CID 54710948

IUPAC3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(Sc2ccc(Cl)cc2)c(=O)n1C
InChIInChI=1S/C13H12ClNO2S/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
InChIKeyLWGYMKHNRXPWMH-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.20
Rot. Bonds2

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

3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one (PubChem CID 54710948) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
PubChem CID54710948
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(O)c(Sc2ccc(Cl)cc2)c(=O)n1C
InChIInChI=1S/C13H12ClNO2S/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
InChIKeyLWGYMKHNRXPWMH-UHFFFAOYSA-N
XLogP3.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one (CID 54710948) is 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one is Cc1cc(O)c(Sc2ccc(Cl)cc2)c(=O)n1C.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
The InChIKey is LWGYMKHNRXPWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/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-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one?
3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one has a molecular weight of 281.76 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 54710948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).