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

C12H10ClNO2S — CID 71185977

IUPAC5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(SCc2ccccc2Cl)cc1O
InChIInChI=1S/C12H10ClNO2S/c13-10-4-2-1-3-8(10)7-17-9-5-11(15)12(16)14-6-9/h1-6,15H,7H2,(H,14,16)
InChIKeyUIZSLXWPXZEQDK-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.03
Rot. Bonds3

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

5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one (PubChem CID 71185977) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
PubChem CID71185977
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(SCc2ccccc2Cl)cc1O
InChIInChI=1S/C12H10ClNO2S/c13-10-4-2-1-3-8(10)7-17-9-5-11(15)12(16)14-6-9/h1-6,15H,7H2,(H,14,16)
InChIKeyUIZSLXWPXZEQDK-UHFFFAOYSA-N
XLogP3.03
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one (CID 71185977) is 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(SCc2ccccc2Cl)cc1O.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
The InChIKey is UIZSLXWPXZEQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-10-4-2-1-3-8(10)7-17-9-5-11(15)12(16)14-6-9/h1-6,15H,7H2,(H,14,16).
What are the key properties of 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one?
5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one has a molecular weight of 267.74 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 71185977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).