2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine

C13H12ClNO2S — CID 15380940

IUPAC2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine
SMILESCc1cnc(Cl)c(-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C13H12ClNO2S/c1-9-7-12(13(14)15-8-9)10-3-5-11(6-4-10)18(2,16)17/h3-8H,1-2H3
InChIKeySGDYEMZAQASUFU-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.11
Rot. Bonds2

About 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine

2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine (PubChem CID 15380940) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine
PubChem CID15380940
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine
SMILESCc1cnc(Cl)c(-c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C13H12ClNO2S/c1-9-7-12(13(14)15-8-9)10-3-5-11(6-4-10)18(2,16)17/h3-8H,1-2H3
InChIKeySGDYEMZAQASUFU-UHFFFAOYSA-N
XLogP3.11
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-methyl-3-(4-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

Related Compounds

4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
CID 126737250
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
CID 139198213
2-chloro-3-methyl-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917313
2-bromo-5-methyl-3-(3-methylsulfonylphenyl)pyridine
CID 22058358
dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378
2-methyl-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
CID 22181944
1-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazole
CID 19355257
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
CID 23451389
2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451001
6-chloro-4-(4-methylsulfonylphenyl)-1H-indazole
CID 121320433
3-chloro-4-[4-(4-methylsulfonylphenyl)phenyl]aniline
CID 118623053
5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane
CID 159179951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine (CID 15380940) is 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine is Cc1cnc(Cl)c(-c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine?
The InChIKey is SGDYEMZAQASUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-9-7-12(13(14)15-8-9)10-3-5-11(6-4-10)18(2,16)17/h3-8H,1-2H3.
What are the key properties of 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine?
2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine has a molecular weight of 281.76 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 15380940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).