pyrazolo[1,5-a]pyridin-3-ylmethanol

• ChemBase ID: 63771
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: c1ccn2c(c1)c(cn2)CO
• Canonical SMILES: OCc1cnn2c1cccc2
• InChI: InChI=1S/C8H8N2O/c11-6-7-5-9-10-4-2-1-3-8(7)10/h1-5,11H,6H2
• InChIKey: FYFIBJJWPQYJNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolo[1,5-a]pyridin-3-ylmethanol
• IUPAC Traditional name: pyrazolo[1,5-a]pyridin-3-ylmethanol
• Synonyms: pyrazolo[1,5-a]pyridin-3-ylmethanol; Pyrazolo[1,5-a]pyridin-3-yl-methanol

Database IDs

• CAS Number: 117782-76-0
• MDL Number: MFCD06658972
• PubChem SID: 162029510
• PubChem CID: 14134319

CALCULATED PROPERTIES

• Acid pKa: 14.731532
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.73578656
• LogD (pH = 7.4): 0.73583263
• Log P: 0.7358332
• Molar Refractivity: 52.7938 cm^3
• Polarizability: 16.402336 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.0070

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 96%