1H-indazol-3-ol

• ChemBase ID: 79316
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: n1c(c2c(cccc2)[nH]1)O
• Canonical SMILES: Oc1n[nH]c2c1cccc2
• InChI: InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
• InChIKey: SWEICGMKXPNXNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-3-ol
• IUPAC Traditional name: 1H-indazol-3-ol
• Synonyms: 3-Hydroxy-1H-indazole; 1H-Indazol-3-ol

Database IDs

• MDL Number: MFCD00044658
• PubChem SID: 162044079
• PubChem CID: 81829

CALCULATED PROPERTIES

• Acid pKa: 7.962527
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5857216
• LogD (pH = 7.4): 1.4835804
• Log P: 1.5871999
• Molar Refractivity: 38.3675 cm^3
• Polarizability: 15.253721 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 224-226°C

Safety Information

• Storage Warning: Irritant