[5-(pyridin-4-yl)pyridin-3-yl]methanol

• ChemBase ID: 797196
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: C(O)c1cc(cnc1)c1ccncc1
• Canonical SMILES: OCc1cncc(c1)c1ccncc1
• InChI: InChI=1S/C11H10N2O/c14-8-9-5-11(7-13-6-9)10-1-3-12-4-2-10/h1-7,14H,8H2
• InChIKey: VWPLDUCLLYQBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyridin-4-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(pyridin-4-yl)pyridin-3-yl]methanol
• Synonyms: [3,4'-Bipyridin]-5-ylMethanol

Database IDs

• CAS Number: 1227583-37-0

CALCULATED PROPERTIES

• Acid pKa: 14.64921
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3377558
• LogD (pH = 7.4): 0.41666728
• Log P: 0.41777655
• Molar Refractivity: 53.6963 cm^3
• Polarizability: 21.965044 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%