(6-ethoxypyridin-2-yl)methanol

• ChemBase ID: 238263
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: n1c(OCC)cccc1CO
• Canonical SMILES: CCOc1cccc(n1)CO
• InChI: InChI=1S/C8H11NO2/c1-2-11-8-5-3-4-7(6-10)9-8/h3-5,10H,2,6H2,1H3
• InChIKey: VVLAGYGCPZFAQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-ethoxypyridin-2-yl)methanol
• IUPAC Traditional name: (6-ethoxypyridin-2-yl)methanol
• Synonyms: (6-ethoxypyridin-2-yl)methanol

Database IDs

• MDL Number: MFCD11977442
• PubChem SID: 164294173
• PubChem CID: 53393171

CALCULATED PROPERTIES

• Acid pKa: 14.213872
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.862863
• LogD (pH = 7.4): 0.8632843
• Log P: 0.8632897
• Molar Refractivity: 41.7201 cm^3
• Polarizability: 16.253395 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.406

Product Information

• Purity: 95%