3-(2-fluorophenyl)-1H-indazol-5-amine

• ChemBase ID: 797268
• Molecular Formular: C13H10FN3
• Molecular Mass: 227.2370032
• Monoisotopic Mass: 227.08587556
• SMILES: c1(n[nH]c2ccc(cc12)N)c1c(cccc1)F
• Canonical SMILES: Nc1ccc2c(c1)c(n[nH]2)c1ccccc1F
• InChI: InChI=1S/C13H10FN3/c14-11-4-2-1-3-9(11)13-10-7-8(15)5-6-12(10)16-17-13/h1-7H,15H2,(H,16,17)
• InChIKey: BDFRHQMIDXEDMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-1H-indazol-5-amine
• IUPAC Traditional name: 3-(2-fluorophenyl)-1H-indazol-5-amine
• Synonyms: 3-(2-Fluorophenyl)-1H-indazol-5-aMine

Database IDs

• CAS Number: 1175859-35-4

CALCULATED PROPERTIES

• Acid pKa: 13.476334
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6409683
• LogD (pH = 7.4): 2.6431313
• Log P: 2.6431594
• Molar Refractivity: 65.7541 cm^3
• Polarizability: 26.413334 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%