[6-(1H-pyrazol-1-yl)pyridin-3-yl]methanol

• ChemBase ID: 799270
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: C(O)c1cnc(cc1)n1nccc1
• Canonical SMILES: OCc1ccc(nc1)n1cccn1
• InChI: InChI=1S/C9H9N3O/c13-7-8-2-3-9(10-6-8)12-5-1-4-11-12/h1-6,13H,7H2
• InChIKey: VJGBDROPWUIYLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(1H-pyrazol-1-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(pyrazol-1-yl)pyridin-3-yl]methanol
• Synonyms: (6-Pyrazol-1-yl-pyridin-3-yl)-methanol

Database IDs

• CAS Number: 748796-38-5

CALCULATED PROPERTIES

• Acid pKa: 14.787058
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.66842175
• LogD (pH = 7.4): 0.66849864
• Log P: 0.66849965
• Molar Refractivity: 49.3922 cm^3
• Polarizability: 18.297897 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%