2-ethoxy-3-propoxypyridine

• ChemBase ID: 290855
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: CCCOc1cccnc1OCC
• Canonical SMILES: CCCOc1cccnc1OCC
• InChI: InChI=1S/C10H15NO2/c1-3-8-13-9-6-5-7-11-10(9)12-4-2/h5-7H,3-4,8H2,1-2H3
• InChIKey: PJAQCUKZLHHQBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-propoxypyridine
• IUPAC Traditional name: 2-ethoxy-3-propoxypyridine
• Synonyms: 2-Ethoxy-3-propoxypyridine

Database IDs

• CAS Number: 1330750-35-0
• PubChem SID: 180676386
• PubChem CID: 54758820

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2700763
• LogD (pH = 7.4): 2.2708173
• Log P: 2.2708266
• Molar Refractivity: 51.1622 cm^3
• Polarizability: 19.994608 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%