5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile

C11H14N2O2S — CID 14077634

IUPAC5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOCOCc1cc(C#N)c(SC)nc1C
InChIInChI=1S/C11H14N2O2S/c1-8-10(6-15-7-14-2)4-9(5-12)11(13-8)16-3/h4H,6-7H2,1-3H3
InChIKeyBAUKRAJDWVBXEA-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.10
Rot. Bonds5

About 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile

5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 14077634) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID14077634
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCOCOCc1cc(C#N)c(SC)nc1C
InChIInChI=1S/C11H14N2O2S/c1-8-10(6-15-7-14-2)4-9(5-12)11(13-8)16-3/h4H,6-7H2,1-3H3
InChIKeyBAUKRAJDWVBXEA-UHFFFAOYSA-N
XLogP2.10
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile (CID 14077634) is 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile is COCOCc1cc(C#N)c(SC)nc1C.
What is the InChIKey of 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is BAUKRAJDWVBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8-10(6-15-7-14-2)4-9(5-12)11(13-8)16-3/h4H,6-7H2,1-3H3.
What are the key properties of 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 238.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxymethyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 14077634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).