4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile

C15H14N2OS — CID 63649827

IUPAC4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile
SMILESCSc1ccccc1Oc1nc(C)cc(C)c1C#N
InChIInChI=1S/C15H14N2OS/c1-10-8-11(2)17-15(12(10)9-16)18-13-6-4-5-7-14(13)19-3/h4-8H,1-3H3
InChIKeyMTLOOMGPDHCKIH-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.08
Rot. Bonds3

About 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile

4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile (PubChem CID 63649827) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile
PubChem CID63649827
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile
SMILESCSc1ccccc1Oc1nc(C)cc(C)c1C#N
InChIInChI=1S/C15H14N2OS/c1-10-8-11(2)17-15(12(10)9-16)18-13-6-4-5-7-14(13)19-3/h4-8H,1-3H3
InChIKeyMTLOOMGPDHCKIH-UHFFFAOYSA-N
XLogP4.08
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile (CID 63649827) is 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile is CSc1ccccc1Oc1nc(C)cc(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile?
The InChIKey is MTLOOMGPDHCKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-8-11(2)17-15(12(10)9-16)18-13-6-4-5-7-14(13)19-3/h4-8H,1-3H3.
What are the key properties of 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile?
4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylsulfanylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 63649827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).