2-(6-methoxypyridin-2-yl)ethan-1-ol

• ChemBase ID: 285732
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: n1c(OC)cccc1CCO
• Canonical SMILES: OCCc1cccc(n1)OC
• InChI: InChI=1S/C8H11NO2/c1-11-8-4-2-3-7(9-8)5-6-10/h2-4,10H,5-6H2,1H3
• InChIKey: MTRANQHMPYZYPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxypyridin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(6-methoxypyridin-2-yl)ethanol
• Synonyms: 2-(6-methoxypyridin-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD09926262
• PubChem SID: 180671263
• PubChem CID: 15319871

CALCULATED PROPERTIES

• Acid pKa: 15.665407
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7414544
• LogD (pH = 7.4): 0.74346876
• Log P: 0.7434945
• Molar Refractivity: 41.6709 cm^3
• Polarizability: 16.181787 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.656

Product Information

• Purity: 95%