[2-(2-methoxyethoxy)pyridin-3-yl]methanol

• ChemBase ID: 242194
• Molecular Formular: C9H13NO3
• Molecular Mass: 183.20442
• Monoisotopic Mass: 183.08954328
• SMILES: c1(c(CO)cccn1)OCCOC
• Canonical SMILES: COCCOc1ncccc1CO
• InChI: InChI=1S/C9H13NO3/c1-12-5-6-13-9-8(7-11)3-2-4-10-9/h2-4,11H,5-7H2,1H3
• InChIKey: NWPHBTTXAYYTHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-methoxyethoxy)pyridin-3-yl]methanol
• IUPAC Traditional name: [2-(2-methoxyethoxy)pyridin-3-yl]methanol
• Synonyms: [2-(2-methoxyethoxy)pyridin-3-yl]methanol

Database IDs

• MDL Number: MFCD14606480
• PubChem SID: 164298104
• PubChem CID: 45091313

CALCULATED PROPERTIES

• Acid pKa: 14.360927
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.37755743
• LogD (pH = 7.4): 0.37802833
• Log P: 0.37803438
• Molar Refractivity: 48.5372 cm^3
• Polarizability: 18.8061 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.767

Product Information

• Purity: 95%