2-methylsulfanylpyridine-3-carbonitrile

C7H6N2S — CID 2799687

IUPAC2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1ncccc1C#N
InChIInChI=1S/C7H6N2S/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,1H3
InChIKeyFSQOYVXHBRURAA-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.68
Rot. Bonds1

About 2-methylsulfanylpyridine-3-carbonitrile

2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 2799687) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanylpyridine-3-carbonitrile
PubChem CID2799687
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1ncccc1C#N
InChIInChI=1S/C7H6N2S/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,1H3
InChIKeyFSQOYVXHBRURAA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanylpyridine-3-carbonitrile (CID 2799687) is 2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanylpyridine-3-carbonitrile is CSc1ncccc1C#N.
What is the InChIKey of 2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is FSQOYVXHBRURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,1H3.
What are the key properties of 2-methylsulfanylpyridine-3-carbonitrile?
2-methylsulfanylpyridine-3-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 2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2799687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).