[6-(2,4-dimethoxyphenyl)pyridin-3-yl]methanol

• ChemBase ID: 811704
• Molecular Formular: C14H15NO3
• Molecular Mass: 245.2738
• Monoisotopic Mass: 245.10519335
• SMILES: C(O)c1cnc(cc1)c1c(cc(cc1)OC)OC
• Canonical SMILES: OCc1ccc(nc1)c1ccc(cc1OC)OC
• InChI: InChI=1S/C14H15NO3/c1-17-11-4-5-12(14(7-11)18-2)13-6-3-10(9-16)8-15-13/h3-8,16H,9H2,1-2H3
• InChIKey: XYQYYHMBUZVRPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2,4-dimethoxyphenyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(2,4-dimethoxyphenyl)pyridin-3-yl]methanol
• Synonyms: 6-(2,4-DIMETHOXYPHENYL)-3-PYRIDINEMETHANOL

Database IDs

• CAS Number: 887974-86-9

CALCULATED PROPERTIES

• Acid pKa: 14.690483
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.70275
• LogD (pH = 7.4): 1.7059163
• Log P: 1.7059568
• Molar Refractivity: 68.4076 cm^3
• Polarizability: 27.875355 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%