2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C11H11N3OS — CID 2213581

IUPAC2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(SCC#N)c1C#N
InChIInChI=1S/C11H11N3OS/c1-8-5-9(7-15-2)10(6-13)11(14-8)16-4-3-12/h5H,4,7H2,1-2H3
InChIKeyNPJQDCQPJOGFEX-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.02
Rot. Bonds4

About 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 2213581) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID2213581
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(SCC#N)c1C#N
InChIInChI=1S/C11H11N3OS/c1-8-5-9(7-15-2)10(6-13)11(14-8)16-4-3-12/h5H,4,7H2,1-2H3
InChIKeyNPJQDCQPJOGFEX-UHFFFAOYSA-N
XLogP2.02
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
CID 676604
2-[(4-Chlorophenyl)methylsulfanyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 2055113
4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile
CID 2721395
Ethyl 3-cyano-6-methyl-2-(methylthio)isonicotinate
CID 2726217
2-(Benzylthio)-6-(dimethoxymethyl)nicotinonitrile
CID 2745217
2-[(4-Bromobenzyl)sulfanyl]-4-(methoxymethyl)-6-methylnicotinonitrile
CID 3697572
2-((2-Chlorobenzyl)thio)-4-(methoxymethyl)-6-methylnicotinonitrile
CID 708959
2-(3-Cyano-4-methoxymethyl-6-methyl-pyridin-2-ylsulfanyl)-N-o-tolyl-acetamide
CID 655184
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
CID 755828
4-(Methoxymethyl)-6-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
CID 2215459
2-Benzylsulfanyl-4-methoxymethyl-6-methyl-nicotinonitrile
CID 684242
Ethyl 3-cyano-6-methyl-2-(prop-2-ynylthio)isonicotinate
CID 2726218

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 2213581) is 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(SCC#N)c1C#N.
What is the InChIKey of 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is NPJQDCQPJOGFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-5-9(7-15-2)10(6-13)11(14-8)16-4-3-12/h5H,4,7H2,1-2H3.
What are the key properties of 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 2213581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).