3-ethoxypyridin-2-ol

• ChemBase ID: 797505
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: n1c(c(ccc1)OCC)O
• Canonical SMILES: CCOc1cccnc1O
• InChI: InChI=1S/C7H9NO2/c1-2-10-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9)
• InChIKey: LOOYDAFVHQHKCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxypyridin-2-ol
• IUPAC Traditional name: 3-ethoxypyridin-2-ol
• Synonyms: 3-ethoxypyridin-2-ol

Database IDs

• CAS Number: 909854-16-6

CALCULATED PROPERTIES

• Acid pKa: 11.844634
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2453657
• LogD (pH = 7.4): 1.2455839
• Log P: 1.2456023
• Molar Refractivity: 37.4073 cm^3
• Polarizability: 14.409848 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%