(5-fluoro-1H-indazol-3-yl)methanol

• ChemBase ID: 811223
• Molecular Formular: C8H7FN2O
• Molecular Mass: 166.1523832
• Monoisotopic Mass: 166.05424107
• SMILES: C(O)c1n[nH]c2ccc(cc12)F
• Canonical SMILES: OCc1n[nH]c2c1cc(F)cc2
• InChI: InChI=1S/C8H7FN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4H2,(H,10,11)
• InChIKey: FUNPPRWQIBANBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoro-1H-indazol-3-yl)methanol
• IUPAC Traditional name: (5-fluoro-1H-indazol-3-yl)methanol
• Synonyms: (5-FLUORO-1H-INDAZOL-3-YL)-METHANOL

Database IDs

• CAS Number: 518990-02-8

CALCULATED PROPERTIES

• Acid pKa: 11.579767
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7531262
• LogD (pH = 7.4): 0.7531037
• Log P: 0.75313175
• Molar Refractivity: 42.5832 cm^3
• Polarizability: 16.757578 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%