4-(2-methyl-3-methylsulfonylphenyl)pyridine

C13H13NO2S — CID 57448063

IUPAC4-(2-methyl-3-methylsulfonylphenyl)pyridine
SMILESCc1c(-c2ccncc2)cccc1S(C)(=O)=O
InChIInChI=1S/C13H13NO2S/c1-10-12(11-6-8-14-9-7-11)4-3-5-13(10)17(2,15)16/h3-9H,1-2H3
InChIKeyKCBCVFYAYHDSJV-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.46
Rot. Bonds2

About 4-(2-methyl-3-methylsulfonylphenyl)pyridine

4-(2-methyl-3-methylsulfonylphenyl)pyridine (PubChem CID 57448063) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(2-methyl-3-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name4-(2-methyl-3-methylsulfonylphenyl)pyridine
PubChem CID57448063
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-(2-methyl-3-methylsulfonylphenyl)pyridine
SMILESCc1c(-c2ccncc2)cccc1S(C)(=O)=O
InChIInChI=1S/C13H13NO2S/c1-10-12(11-6-8-14-9-7-11)4-3-5-13(10)17(2,15)16/h3-9H,1-2H3
InChIKeyKCBCVFYAYHDSJV-UHFFFAOYSA-N
XLogP2.46
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-methyl-3-methylsulfonylphenyl)pyridine 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 4-(2-methyl-3-methylsulfonylphenyl)pyridine?
The IUPAC name of 4-(2-methyl-3-methylsulfonylphenyl)pyridine (CID 57448063) is 4-(2-methyl-3-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 4-(2-methyl-3-methylsulfonylphenyl)pyridine?
The canonical SMILES for 4-(2-methyl-3-methylsulfonylphenyl)pyridine is Cc1c(-c2ccncc2)cccc1S(C)(=O)=O.
What is the InChIKey of 4-(2-methyl-3-methylsulfonylphenyl)pyridine?
The InChIKey is KCBCVFYAYHDSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10-12(11-6-8-14-9-7-11)4-3-5-13(10)17(2,15)16/h3-9H,1-2H3.
What are the key properties of 4-(2-methyl-3-methylsulfonylphenyl)pyridine?
4-(2-methyl-3-methylsulfonylphenyl)pyridine has a molecular weight of 247.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 57448063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).