2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine

C12H12N2O2S — CID 141276188

IUPAC2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine
SMILESCc1cc(-c2ncccc2S(C)(=O)=O)ccn1
InChIInChI=1S/C12H12N2O2S/c1-9-8-10(5-7-13-9)12-11(17(2,15)16)4-3-6-14-12/h3-8H,1-2H3
InChIKeyDVKNUVMJULSTOO-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.86
Rot. Bonds2

About 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine

2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine (PubChem CID 141276188) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine
PubChem CID141276188
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine
SMILESCc1cc(-c2ncccc2S(C)(=O)=O)ccn1
InChIInChI=1S/C12H12N2O2S/c1-9-8-10(5-7-13-9)12-11(17(2,15)16)4-3-6-14-12/h3-8H,1-2H3
InChIKeyDVKNUVMJULSTOO-UHFFFAOYSA-N
XLogP1.86
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine
CID 157016183
2-(5-methylthiophen-3-yl)pyridine-3-sulfonyl chloride
CID 102741900
3-(4-fluoro-3-methylsulfonylphenyl)-2-methylpyridine
CID 90162747
2-(2-ethoxyphenyl)-3-methylsulfonylpyridine
CID 70515395
2-methyl-3-(2-methyl-4-pyridinyl)benzaldehyde
CID 172651416
5-fluoro-4-methyl-6-(2-methyl-4-pyridinyl)pyridin-3-ol
CID 136983593
2,3,5-trichloro-6-(2-methyl-4-pyridinyl)pyridine
CID 102752756
4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
CID 10223922
2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine
CID 114600203
4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
4-(4-fluoro-5-methyl-1H-pyrazol-3-yl)-2-methylpyridine
CID 163483905

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine (CID 141276188) is 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine is Cc1cc(-c2ncccc2S(C)(=O)=O)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine?
The InChIKey is DVKNUVMJULSTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-8-10(5-7-13-9)12-11(17(2,15)16)4-3-6-14-12/h3-8H,1-2H3.
What are the key properties of 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine?
2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine has a molecular weight of 248.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine is sourced from PubChem (CID 141276188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).