5-methylsulfanylpyridine-2-carbonitrile

C7H6N2S — CID 59455874

IUPAC5-methylsulfanylpyridine-2-carbonitrile
SMILESCSc1ccc(C#N)nc1
InChIInChI=1S/C7H6N2S/c1-10-7-3-2-6(4-8)9-5-7/h2-3,5H,1H3
InChIKeySWCWUMYYZJHKIN-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.68
Rot. Bonds1

About 5-methylsulfanylpyridine-2-carbonitrile

5-methylsulfanylpyridine-2-carbonitrile (PubChem CID 59455874) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 5-methylsulfanylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methylsulfanylpyridine-2-carbonitrile
PubChem CID59455874
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name5-methylsulfanylpyridine-2-carbonitrile
SMILESCSc1ccc(C#N)nc1
InChIInChI=1S/C7H6N2S/c1-10-7-3-2-6(4-8)9-5-7/h2-3,5H,1H3
InChIKeySWCWUMYYZJHKIN-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 5-methylsulfanylpyridine-2-carbonitrile?
The IUPAC name of 5-methylsulfanylpyridine-2-carbonitrile (CID 59455874) is 5-methylsulfanylpyridine-2-carbonitrile.
What is the SMILES notation for 5-methylsulfanylpyridine-2-carbonitrile?
The canonical SMILES for 5-methylsulfanylpyridine-2-carbonitrile is CSc1ccc(C#N)nc1.
What is the InChIKey of 5-methylsulfanylpyridine-2-carbonitrile?
The InChIKey is SWCWUMYYZJHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-10-7-3-2-6(4-8)9-5-7/h2-3,5H,1H3.
What are the key properties of 5-methylsulfanylpyridine-2-carbonitrile?
5-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 5-methylsulfanylpyridine-2-carbonitrile is sourced from PubChem (CID 59455874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).