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

C11H14N2OS — CID 684187

IUPAC2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCCSc1nc(C)cc(COC)c1C#N
InChIInChI=1S/C11H14N2OS/c1-4-15-11-10(6-12)9(7-14-3)5-8(2)13-11/h5H,4,7H2,1-3H3
InChIKeyVVMGMPVFVKKWPE-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.52
Rot. Bonds4

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

2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 684187) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID684187
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCCSc1nc(C)cc(COC)c1C#N
InChIInChI=1S/C11H14N2OS/c1-4-15-11-10(6-12)9(7-14-3)5-8(2)13-11/h5H,4,7H2,1-3H3
InChIKeyVVMGMPVFVKKWPE-UHFFFAOYSA-N
XLogP2.52
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 684187) is 2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is CCSc1nc(C)cc(COC)c1C#N.
What is the InChIKey of 2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is VVMGMPVFVKKWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-15-11-10(6-12)9(7-14-3)5-8(2)13-11/h5H,4,7H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 222.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 684187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).