2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile

C9H10N2S — CID 131014317

IUPAC2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1cc(C)c(C#N)c(C)n1
InChIInChI=1S/C9H10N2S/c1-6-4-9(12-3)11-7(2)8(6)5-10/h4H,1-3H3
InChIKeyKWNUHWVNOILHLO-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.29
Rot. Bonds1

About 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile

2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile (PubChem CID 131014317) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile
PubChem CID131014317
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1cc(C)c(C#N)c(C)n1
InChIInChI=1S/C9H10N2S/c1-6-4-9(12-3)11-7(2)8(6)5-10/h4H,1-3H3
InChIKeyKWNUHWVNOILHLO-UHFFFAOYSA-N
XLogP2.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile (CID 131014317) is 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile is CSc1cc(C)c(C#N)c(C)n1.
What is the InChIKey of 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is KWNUHWVNOILHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6-4-9(12-3)11-7(2)8(6)5-10/h4H,1-3H3.
What are the key properties of 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile?
2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 178.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 131014317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).