4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile

C10H12N2OS — CID 697562

IUPAC4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(SC)c1C#N
InChIInChI=1S/C10H12N2OS/c1-7-4-8(6-13-2)9(5-11)10(12-7)14-3/h4H,6H2,1-3H3
InChIKeyXWHQWSQKBRPJAY-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.13
Rot. Bonds3

About 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 697562) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID697562
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(SC)c1C#N
InChIInChI=1S/C10H12N2OS/c1-7-4-8(6-13-2)9(5-11)10(12-7)14-3/h4H,6H2,1-3H3
InChIKeyXWHQWSQKBRPJAY-UHFFFAOYSA-N
XLogP2.13
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[(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
2-(4-Fluoro-benzylsulfanyl)-4-methoxymethyl-6-methyl-nicotinonitrile
CID 3141842

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile (CID 697562) is 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile is COCc1cc(C)nc(SC)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is XWHQWSQKBRPJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-4-8(6-13-2)9(5-11)10(12-7)14-3/h4H,6H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 697562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).