[2-(2-methoxyethoxy)pyridin-4-yl]methanol

• ChemBase ID: 246169
• Molecular Formular: C9H13NO3
• Molecular Mass: 183.20442
• Monoisotopic Mass: 183.08954328
• SMILES: n1c(cc(CO)cc1)OCCOC
• Canonical SMILES: COCCOc1cc(CO)ccn1
• InChI: InChI=1S/C9H13NO3/c1-12-4-5-13-9-6-8(7-11)2-3-10-9/h2-3,6,11H,4-5,7H2,1H3
• InChIKey: LIAQECGZSLHBNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-methoxyethoxy)pyridin-4-yl]methanol
• IUPAC Traditional name: [2-(2-methoxyethoxy)pyridin-4-yl]methanol
• Synonyms: [2-(2-methoxyethoxy)pyridin-4-yl]methanol

Database IDs

• MDL Number: MFCD14606485
• PubChem SID: 164302079
• PubChem CID: 58005657

CALCULATED PROPERTIES

• Acid pKa: 14.721962
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.37724742
• LogD (pH = 7.4): 0.37802443
• Log P: 0.37803438
• Molar Refractivity: 48.5372 cm^3
• Polarizability: 18.805569 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%