6-methyl-2-methylsulfanylpyridine-3-carbonitrile

C8H8N2S — CID 819715

IUPAC6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(C)ccc1C#N
InChIInChI=1S/C8H8N2S/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H3
InChIKeyJNGAXHOXFIPEAA-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.98
Rot. Bonds1

About 6-methyl-2-methylsulfanylpyridine-3-carbonitrile

6-methyl-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 819715) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID819715
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(C)ccc1C#N
InChIInChI=1S/C8H8N2S/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H3
InChIKeyJNGAXHOXFIPEAA-UHFFFAOYSA-N
XLogP1.98
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-methylsulfanylpyridine-3-carbonitrile (CID 819715) is 6-methyl-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-methylsulfanylpyridine-3-carbonitrile is CSc1nc(C)ccc1C#N.
What is the InChIKey of 6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is JNGAXHOXFIPEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H3.
What are the key properties of 6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
6-methyl-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 164.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 819715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).