6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile

C9H10N2OS — CID 84665565

IUPAC6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOc1cc(C)c(C#N)c(SC)n1
InChIInChI=1S/C9H10N2OS/c1-6-4-8(12-2)11-9(13-3)7(6)5-10/h4H,1-3H3
InChIKeyZLPXRKHDLWDWTG-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.99
Rot. Bonds2

About 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile

6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 84665565) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID84665565
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOc1cc(C)c(C#N)c(SC)n1
InChIInChI=1S/C9H10N2OS/c1-6-4-8(12-2)11-9(13-3)7(6)5-10/h4H,1-3H3
InChIKeyZLPXRKHDLWDWTG-UHFFFAOYSA-N
XLogP1.99
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile (CID 84665565) is 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile is COc1cc(C)c(C#N)c(SC)n1.
What is the InChIKey of 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is ZLPXRKHDLWDWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6-4-8(12-2)11-9(13-3)7(6)5-10/h4H,1-3H3.
What are the key properties of 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile?
6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 84665565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).