(1H-indazol-3-yl)methanol

• ChemBase ID: 69546
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: [nH]1nc(c2ccccc12)CO
• Canonical SMILES: OCc1n[nH]c2c1cccc2
• InChI: InChI=1S/C8H8N2O/c11-5-8-6-3-1-2-4-7(6)9-10-8/h1-4,11H,5H2,(H,9,10)
• InChIKey: NFAIOOKNXAXEBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1H-indazol-3-yl)methanol; 1H-indazol-3-ylmethanol
• IUPAC Traditional name: 1H-indazol-3-ylmethanol
• Synonyms: (1H-Indazol-3-yl)methanol; 3-(Hydroxymethyl)indazole

Database IDs

• CAS Number: 64132-13-4
• MDL Number: MFCD05260509
• PubChem SID: 162035272
• PubChem CID: 1505796

CALCULATED PROPERTIES

• Acid pKa: 11.455613
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6104255
• LogD (pH = 7.4): 0.6103925
• Log P: 0.6104298
• Molar Refractivity: 42.3668 cm^3
• Polarizability: 17.106953 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%