2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine

C11H17NO2S — CID 126603068

IUPAC2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine
SMILESCOCCOc1cccc(C(C)SC)n1
InChIInChI=1S/C11H17NO2S/c1-9(15-3)10-5-4-6-11(12-10)14-8-7-13-2/h4-6,9H,7-8H2,1-3H3
InChIKeyHGHKRHJNJVOYMK-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.53
Rot. Bonds6

About 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine

2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine (PubChem CID 126603068) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine
PubChem CID126603068
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine
SMILESCOCCOc1cccc(C(C)SC)n1
InChIInChI=1S/C11H17NO2S/c1-9(15-3)10-5-4-6-11(12-10)14-8-7-13-2/h4-6,9H,7-8H2,1-3H3
InChIKeyHGHKRHJNJVOYMK-UHFFFAOYSA-N
XLogP2.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine?
The IUPAC name of 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine (CID 126603068) is 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine.
What is the SMILES notation for 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine?
The canonical SMILES for 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine is COCCOc1cccc(C(C)SC)n1.
What is the InChIKey of 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine?
The InChIKey is HGHKRHJNJVOYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(15-3)10-5-4-6-11(12-10)14-8-7-13-2/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine?
2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine has a molecular weight of 227.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine is sourced from PubChem (CID 126603068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).