4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile

C14H12N2S — CID 710280

IUPAC4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile
SMILESCSc1nc(-c2ccccc2)cc(C)c1C#N
InChIInChI=1S/C14H12N2S/c1-10-8-13(11-6-4-3-5-7-11)16-14(17-2)12(10)9-15/h3-8H,1-2H3
InChIKeyFMAHSTUBSMNIDG-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.65
Rot. Bonds2

About 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile

4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile (PubChem CID 710280) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile
PubChem CID710280
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile
SMILESCSc1nc(-c2ccccc2)cc(C)c1C#N
InChIInChI=1S/C14H12N2S/c1-10-8-13(11-6-4-3-5-7-11)16-14(17-2)12(10)9-15/h3-8H,1-2H3
InChIKeyFMAHSTUBSMNIDG-UHFFFAOYSA-N
XLogP3.65
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile (CID 710280) is 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile is CSc1nc(-c2ccccc2)cc(C)c1C#N.
What is the InChIKey of 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile?
The InChIKey is FMAHSTUBSMNIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-10-8-13(11-6-4-3-5-7-11)16-14(17-2)12(10)9-15/h3-8H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile?
4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile has a molecular weight of 240.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 710280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).