3-methylsulfanylpyridine-2-carbonitrile

C7H6N2S — CID 18423357

IUPAC3-methylsulfanylpyridine-2-carbonitrile
SMILESCSc1cccnc1C#N
InChIInChI=1S/C7H6N2S/c1-10-7-3-2-4-9-6(7)5-8/h2-4H,1H3
InChIKeyIOXJHXAWIUWEHW-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.68
Rot. Bonds1

About 3-methylsulfanylpyridine-2-carbonitrile

3-methylsulfanylpyridine-2-carbonitrile (PubChem CID 18423357) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 3-methylsulfanylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methylsulfanylpyridine-2-carbonitrile
PubChem CID18423357
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name3-methylsulfanylpyridine-2-carbonitrile
SMILESCSc1cccnc1C#N
InChIInChI=1S/C7H6N2S/c1-10-7-3-2-4-9-6(7)5-8/h2-4H,1H3
InChIKeyIOXJHXAWIUWEHW-UHFFFAOYSA-N
XLogP1.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfanylpyridine-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-methylsulfanylpyridine-2-carbonitrile?
The IUPAC name of 3-methylsulfanylpyridine-2-carbonitrile (CID 18423357) is 3-methylsulfanylpyridine-2-carbonitrile.
What is the SMILES notation for 3-methylsulfanylpyridine-2-carbonitrile?
The canonical SMILES for 3-methylsulfanylpyridine-2-carbonitrile is CSc1cccnc1C#N.
What is the InChIKey of 3-methylsulfanylpyridine-2-carbonitrile?
The InChIKey is IOXJHXAWIUWEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-10-7-3-2-4-9-6(7)5-8/h2-4H,1H3.
What are the key properties of 3-methylsulfanylpyridine-2-carbonitrile?
3-methylsulfanylpyridine-2-carbonitrile has a molecular weight of 150.21 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpyridine-2-carbonitrile is sourced from PubChem (CID 18423357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).