(5-methoxy-1H-indazol-3-yl)methanol

• ChemBase ID: 799711
• Molecular Formular: C9H10N2O2
• Molecular Mass: 178.1879
• Monoisotopic Mass: 178.07422757
• SMILES: C(O)c1n[nH]c2ccc(cc12)OC
• Canonical SMILES: COc1ccc2c(c1)c(CO)n[nH]2
• InChI: InChI=1S/C9H10N2O2/c1-13-6-2-3-8-7(4-6)9(5-12)11-10-8/h2-4,12H,5H2,1H3,(H,10,11)
• InChIKey: FBKSZQFRAVLLCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxy-1H-indazol-3-yl)methanol
• IUPAC Traditional name: (5-methoxy-1H-indazol-3-yl)methanol
• Synonyms: (5-methoxy-1H-indazol-3-yl)methanol

Database IDs

• CAS Number: 169789-36-0

CALCULATED PROPERTIES

• Acid pKa: 11.912413
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.45275098
• LogD (pH = 7.4): 0.45274544
• Log P: 0.45275855
• Molar Refractivity: 48.83 cm^3
• Polarizability: 19.609442 Å^3
• Polar Surface Area: 58.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true