2-(1H-indazol-1-yl)ethan-1-ol

• ChemBase ID: 277245
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: n1n(c2c(c1)cccc2)CCO
• Canonical SMILES: OCCn1ncc2c1cccc2
• InChI: InChI=1S/C9H10N2O/c12-6-5-11-9-4-2-1-3-8(9)7-10-11/h1-4,7,12H,5-6H2
• InChIKey: UBXONPAHYWWLMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indazol-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(indazol-1-yl)ethanol
• Synonyms: 2-(1H-indazol-1-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD16739318
• PubChem SID: 164333155
• PubChem CID: 53621259

CALCULATED PROPERTIES

• Acid pKa: 15.393255
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.72986877
• LogD (pH = 7.4): 0.7298816
• Log P: 0.72988176
• Molar Refractivity: 57.5814 cm^3
• Polarizability: 18.872845 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50°C
• Hydrophobicity(logP): 0.949

Product Information

• Purity: 95%