2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine

C13H10F3NO2S — CID 23218110

IUPAC2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccccc1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H10F3NO2S/c1-20(18,19)11-7-3-2-5-9(11)10-6-4-8-12(17-10)13(14,15)16/h2-8H,1H3
InChIKeyONRYORDMTJJGCM-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.17
Rot. Bonds2

About 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine

2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine (PubChem CID 23218110) has the molecular formula C13H10F3NO2S and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine
PubChem CID23218110
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC Name2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccccc1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H10F3NO2S/c1-20(18,19)11-7-3-2-5-9(11)10-6-4-8-12(17-10)13(14,15)16/h2-8H,1H3
InChIKeyONRYORDMTJJGCM-UHFFFAOYSA-N
XLogP3.17
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)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

3-[6-(trifluoromethyl)-2-pyridinyl]furan-2-sulfonamide
CID 165457294
2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 67719228
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole
CID 174549054
2-(1,1-difluoroethyl)-6-methylsulfonylpyridine
CID 146530931
2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 68939881
2-(2-methylsulfonylphenyl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole
CID 75384950
3-[4-fluoro-3-(2-methylsulfonylphenyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10160106
2-(4,6-dimethoxypyrimidin-2-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 15389849
4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493010
5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3314010
ethane;2-methyl-6-(trifluoromethyl)pyridine
CID 144746626

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine (CID 23218110) is 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine is CS(=O)(=O)c1ccccc1-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is ONRYORDMTJJGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c1-20(18,19)11-7-3-2-5-9(11)10-6-4-8-12(17-10)13(14,15)16/h2-8H,1H3.
What are the key properties of 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine?
2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine has a molecular weight of 301.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 23218110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).