[2-(1H-pyrazol-1-yl)pyridin-3-yl]methanol

• ChemBase ID: 235238
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: n1(c2c(CO)cccn2)nccc1
• Canonical SMILES: OCc1cccnc1n1cccn1
• InChI: InChI=1S/C9H9N3O/c13-7-8-3-1-4-10-9(8)12-6-2-5-11-12/h1-6,13H,7H2
• InChIKey: WTDVIGWBYBVIKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-pyrazol-1-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [2-(pyrazol-1-yl)pyridin-3-yl]methanol
• Synonyms: [2-(1H-pyrazol-1-yl)pyridin-3-yl]methanol

Database IDs

• MDL Number: MFCD14606189
• PubChem SID: 164291148
• PubChem CID: 61256270

CALCULATED PROPERTIES

• Acid pKa: 14.938942
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6684087
• LogD (pH = 7.4): 0.6684985
• Log P: 0.66849965
• Molar Refractivity: 49.3922 cm^3
• Polarizability: 18.29953 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.529

Product Information

• Purity: 95%