3-methylsulfonylpyridine-2-carbonitrile

C7H6N2O2S — CID 23436943

IUPAC3-methylsulfonylpyridine-2-carbonitrile
SMILESCS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-4-9-6(7)5-8/h2-4H,1H3
InChIKeyHXIWYCHEVLMLGZ-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.36
Rot. Bonds1

About 3-methylsulfonylpyridine-2-carbonitrile

3-methylsulfonylpyridine-2-carbonitrile (PubChem CID 23436943) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-methylsulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methylsulfonylpyridine-2-carbonitrile
PubChem CID23436943
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name3-methylsulfonylpyridine-2-carbonitrile
SMILESCS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-4-9-6(7)5-8/h2-4H,1H3
InChIKeyHXIWYCHEVLMLGZ-UHFFFAOYSA-N
XLogP0.36
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfonylpyridine-2-carbonitrile 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 3-methylsulfonylpyridine-2-carbonitrile?
The IUPAC name of 3-methylsulfonylpyridine-2-carbonitrile (CID 23436943) is 3-methylsulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 3-methylsulfonylpyridine-2-carbonitrile?
The canonical SMILES for 3-methylsulfonylpyridine-2-carbonitrile is CS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 3-methylsulfonylpyridine-2-carbonitrile?
The InChIKey is HXIWYCHEVLMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-4-9-6(7)5-8/h2-4H,1H3.
What are the key properties of 3-methylsulfonylpyridine-2-carbonitrile?
3-methylsulfonylpyridine-2-carbonitrile has a molecular weight of 182.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 23436943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).