3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one

C12H10ClNO2S — CID 54694338

IUPAC3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(Sc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C12H10ClNO2S/c1-7-6-10(15)11(12(16)14-7)17-9-4-2-8(13)3-5-9/h2-6H,1H3,(H2,14,15,16)
InChIKeySNUWYJUOSNCAPV-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.19
Rot. Bonds2

About 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one

3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one (PubChem CID 54694338) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one
PubChem CID54694338
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(Sc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C12H10ClNO2S/c1-7-6-10(15)11(12(16)14-7)17-9-4-2-8(13)3-5-9/h2-6H,1H3,(H2,14,15,16)
InChIKeySNUWYJUOSNCAPV-UHFFFAOYSA-N
XLogP3.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one (CID 54694338) is 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(Sc2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
The InChIKey is SNUWYJUOSNCAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-6-10(15)11(12(16)14-7)17-9-4-2-8(13)3-5-9/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one has a molecular weight of 267.74 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-4-hydroxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54694338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).