1-methyl-1H-indazol-3-ol

• ChemBase ID: 798228
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: c1(nn(c2ccccc12)C)O
• Canonical SMILES: Cn1nc(c2c1cccc2)O
• InChI: InChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)8(11)9-10/h2-5H,1H3,(H,9,11)
• InChIKey: ONNIFDMRZCMQQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indazol-3-ol
• IUPAC Traditional name: 1-methylindazol-3-ol
• Synonyms: 1-Methyl-1H-indazole-3-ol

Database IDs

• CAS Number: 1006-19-5

CALCULATED PROPERTIES

• Acid pKa: 7.910163
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7092232
• LogD (pH = 7.4): 1.5967108
• Log P: 1.710876
• Molar Refractivity: 53.5835 cm^3
• Polarizability: 17.016712 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%