2-[(2-ethoxypyridin-3-yl)oxy]ethan-1-ol

• ChemBase ID: 242762
• Molecular Formular: C9H13NO3
• Molecular Mass: 183.20442
• Monoisotopic Mass: 183.08954328
• SMILES: c1(ncccc1OCCO)OCC
• Canonical SMILES: OCCOc1cccnc1OCC
• InChI: InChI=1S/C9H13NO3/c1-2-12-9-8(13-7-6-11)4-3-5-10-9/h3-5,11H,2,6-7H2,1H3
• InChIKey: UDWGWYLEOMBXHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-ethoxypyridin-3-yl)oxy]ethan-1-ol
• IUPAC Traditional name: 2-[(2-ethoxypyridin-3-yl)oxy]ethanol
• Synonyms: 2-[(2-ethoxypyridin-3-yl)oxy]ethan-1-ol

Database IDs

• MDL Number: MFCD13248575
• PubChem SID: 164298672
• PubChem CID: 11513872

CALCULATED PROPERTIES

• Acid pKa: 15.101879
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.70065564
• LogD (pH = 7.4): 0.701385
• Log P: 0.7013943
• Molar Refractivity: 48.1819 cm^3
• Polarizability: 18.798796 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.169

Product Information

• Purity: 95%