1H-indazol-6-ylmethanol

• ChemBase ID: 87415
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: [nH]1c2cc(ccc2cn1)CO
• Canonical SMILES: OCc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C8H8N2O/c11-5-6-1-2-7-4-9-10-8(7)3-6/h1-4,11H,5H2,(H,9,10)
• InChIKey: WZCQPVLAXQMTJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-6-ylmethanol
• IUPAC Traditional name: 1H-indazol-6-ylmethanol
• Synonyms: (1H-Indazol-6-yl)methanol; 6-(Hydroxymethyl)-1H-indazole; 1H-indazol-6-ylmethanol

Database IDs

• CAS Number: 916902-55-1
• MDL Number: MFCD11052639
• PubChem SID: 162074506
• PubChem CID: 44119261

CALCULATED PROPERTIES

• Acid pKa: 13.449858
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5289378
• LogD (pH = 7.4): 0.5289573
• Log P: 0.5289579
• Molar Refractivity: 42.889 cm^3
• Polarizability: 17.103668 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C; 159°C
• Hydrophobicity(logP): 0.587

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95%