5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile

C11H14N2O2S2 — CID 56994300

IUPAC5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile
SMILESCOCOCc1cc(C#N)c(SC)nc1SC
InChIInChI=1S/C11H14N2O2S2/c1-14-7-15-6-9-4-8(5-12)10(16-2)13-11(9)17-3/h4H,6-7H2,1-3H3
InChIKeyMXHSRVSBMURWNU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.52
Rot. Bonds6

About 5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile

5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile (PubChem CID 56994300) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile
PubChem CID56994300
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile
SMILESCOCOCc1cc(C#N)c(SC)nc1SC
InChIInChI=1S/C11H14N2O2S2/c1-14-7-15-6-9-4-8(5-12)10(16-2)13-11(9)17-3/h4H,6-7H2,1-3H3
InChIKeyMXHSRVSBMURWNU-UHFFFAOYSA-N
XLogP2.52
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile (CID 56994300) is 5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile is COCOCc1cc(C#N)c(SC)nc1SC.
What is the InChIKey of 5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is MXHSRVSBMURWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-14-7-15-6-9-4-8(5-12)10(16-2)13-11(9)17-3/h4H,6-7H2,1-3H3.
What are the key properties of 5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile?
5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxymethyl)-2,6-bis(methylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56994300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).