6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile

C10H12N2O2S — CID 2745215

IUPAC6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOC(OC)c1ccc(C#N)c(SC)n1
InChIInChI=1S/C10H12N2O2S/c1-13-10(14-2)8-5-4-7(6-11)9(12-8)15-3/h4-5,10H,1-3H3
InChIKeyXIIHPYHWFPYSRE-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.97
Rot. Bonds4

About 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile

6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 2745215) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID2745215
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOC(OC)c1ccc(C#N)c(SC)n1
InChIInChI=1S/C10H12N2O2S/c1-13-10(14-2)8-5-4-7(6-11)9(12-8)15-3/h4-5,10H,1-3H3
InChIKeyXIIHPYHWFPYSRE-UHFFFAOYSA-N
XLogP1.97
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile (CID 2745215) is 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile is COC(OC)c1ccc(C#N)c(SC)n1.
What is the InChIKey of 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is XIIHPYHWFPYSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-13-10(14-2)8-5-4-7(6-11)9(12-8)15-3/h4-5,10H,1-3H3.
What are the key properties of 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile?
6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 224.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxymethyl)-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2745215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).