1H-indazol-7-ylmethanol

• ChemBase ID: 87416
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: [nH]1c2c(cccc2cn1)CO
• Canonical SMILES: OCc1cccc2c1[nH]nc2
• InChI: InChI=1S/C8H8N2O/c11-5-7-3-1-2-6-4-9-10-8(6)7/h1-4,11H,5H2,(H,9,10)
• InChIKey: CDFSPQVWOQHSMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-7-ylmethanol
• IUPAC Traditional name: 1H-indazol-7-ylmethanol
• Synonyms: 1H-indazol-7-ylmethanol; 1H-Indazol-7-ylmethanol; 7-(Hydroxymethyl)-1H-indazole

Database IDs

• MDL Number: MFCD11052637
• PubChem SID: 162104534
• PubChem CID: 44119262

CALCULATED PROPERTIES

• Acid pKa: 13.171516
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.52893883
• LogD (pH = 7.4): 0.52895695
• Log P: 0.5289579
• Molar Refractivity: 42.889 cm^3
• Polarizability: 17.10516 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): 0.587

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%