6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile

C14H12N2OS — CID 63648336

IUPAC6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile
SMILESCSc1ccc(Oc2nc(C)ccc2C#N)cc1
InChIInChI=1S/C14H12N2OS/c1-10-3-4-11(9-15)14(16-10)17-12-5-7-13(18-2)8-6-12/h3-8H,1-2H3
InChIKeyKKBQBYLFVWMLJM-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.78
Rot. Bonds3

About 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile

6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile (PubChem CID 63648336) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile
PubChem CID63648336
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile
SMILESCSc1ccc(Oc2nc(C)ccc2C#N)cc1
InChIInChI=1S/C14H12N2OS/c1-10-3-4-11(9-15)14(16-10)17-12-5-7-13(18-2)8-6-12/h3-8H,1-2H3
InChIKeyKKBQBYLFVWMLJM-UHFFFAOYSA-N
XLogP3.78
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile (CID 63648336) is 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile is CSc1ccc(Oc2nc(C)ccc2C#N)cc1.
What is the InChIKey of 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile?
The InChIKey is KKBQBYLFVWMLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-10-3-4-11(9-15)14(16-10)17-12-5-7-13(18-2)8-6-12/h3-8H,1-2H3.
What are the key properties of 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile?
6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile has a molecular weight of 256.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 63648336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).