5-methylsulfonylpyridine-2-carbonitrile

C7H6N2O2S — CID 59169929

IUPAC5-methylsulfonylpyridine-2-carbonitrile
SMILESCS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-6(4-8)9-5-7/h2-3,5H,1H3
InChIKeyWGTUUPXIIZIOLR-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.36
Rot. Bonds1

About 5-methylsulfonylpyridine-2-carbonitrile

5-methylsulfonylpyridine-2-carbonitrile (PubChem CID 59169929) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 5-methylsulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methylsulfonylpyridine-2-carbonitrile
PubChem CID59169929
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name5-methylsulfonylpyridine-2-carbonitrile
SMILESCS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-6(4-8)9-5-7/h2-3,5H,1H3
InChIKeyWGTUUPXIIZIOLR-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

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-methylsulfonylpyridine-2-carbonitrile (CID 59169929) is 5-methylsulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-methylsulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-methylsulfonylpyridine-2-carbonitrile is CS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 5-methylsulfonylpyridine-2-carbonitrile?
The InChIKey is WGTUUPXIIZIOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-6(4-8)9-5-7/h2-3,5H,1H3.
What are the key properties of 5-methylsulfonylpyridine-2-carbonitrile?
5-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 5-methylsulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 59169929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).