2-ethoxypyridin-3-ol

• ChemBase ID: 89553
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: O(c1c(cccn1)O)CC
• Canonical SMILES: CCOc1ncccc1O
• InChI: InChI=1S/C7H9NO2/c1-2-10-7-6(9)4-3-5-8-7/h3-5,9H,2H2,1H3
• InChIKey: XTGGQAFOLDDVQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxypyridin-3-ol
• IUPAC Traditional name: 2-ethoxypyridin-3-ol
• Synonyms: 2-Ethoxypyridin-3-ol; Ethyl 3-hydroxypyridin-2-yl ether; 2-Ethoxy-3-hydroxypyridine

Database IDs

• CAS Number: 188670-05-5
• PubChem SID: 162076430
• PubChem CID: 11586312

CALCULATED PROPERTIES

• Acid pKa: 9.204142
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2433511
• LogD (pH = 7.4): 1.2389333
• Log P: 1.2456023
• Molar Refractivity: 37.4073 cm^3
• Polarizability: 14.410051 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon