2,6-diethoxy-3-(propoxymethyl)pyridine

C13H21NO3 — CID 12762185

IUPAC2,6-diethoxy-3-(propoxymethyl)pyridine
SMILESCCCOCc1ccc(OCC)nc1OCC
InChIInChI=1S/C13H21NO3/c1-4-9-15-10-11-7-8-12(16-5-2)14-13(11)17-6-3/h7-8H,4-6,9-10H2,1-3H3
InChIKeyVSGDJUOLUKVHBS-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.81
Rot. Bonds8

About 2,6-diethoxy-3-(propoxymethyl)pyridine

2,6-diethoxy-3-(propoxymethyl)pyridine (PubChem CID 12762185) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2,6-diethoxy-3-(propoxymethyl)pyridine.

Molecular Properties

Compound Name2,6-diethoxy-3-(propoxymethyl)pyridine
PubChem CID12762185
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2,6-diethoxy-3-(propoxymethyl)pyridine
SMILESCCCOCc1ccc(OCC)nc1OCC
InChIInChI=1S/C13H21NO3/c1-4-9-15-10-11-7-8-12(16-5-2)14-13(11)17-6-3/h7-8H,4-6,9-10H2,1-3H3
InChIKeyVSGDJUOLUKVHBS-UHFFFAOYSA-N
XLogP2.81
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.81
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 2,6-diethoxy-3-(propoxymethyl)pyridine?
The IUPAC name of 2,6-diethoxy-3-(propoxymethyl)pyridine (CID 12762185) is 2,6-diethoxy-3-(propoxymethyl)pyridine.
What is the SMILES notation for 2,6-diethoxy-3-(propoxymethyl)pyridine?
The canonical SMILES for 2,6-diethoxy-3-(propoxymethyl)pyridine is CCCOCc1ccc(OCC)nc1OCC.
What is the InChIKey of 2,6-diethoxy-3-(propoxymethyl)pyridine?
The InChIKey is VSGDJUOLUKVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-9-15-10-11-7-8-12(16-5-2)14-13(11)17-6-3/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 2,6-diethoxy-3-(propoxymethyl)pyridine?
2,6-diethoxy-3-(propoxymethyl)pyridine has a molecular weight of 239.31 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethoxy-3-(propoxymethyl)pyridine is sourced from PubChem (CID 12762185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).