3-(6-fluoropyridin-2-yl)-1H-indazol-5-amine

• ChemBase ID: 795870
• Molecular Formular: C12H9FN4
• Molecular Mass: 228.2250632
• Monoisotopic Mass: 228.08112453
• SMILES: c1(n[nH]c2ccc(cc12)N)c1nc(ccc1)F
• Canonical SMILES: Fc1cccc(n1)c1n[nH]c2c1cc(N)cc2
• InChI: InChI=1S/C12H9FN4/c13-11-3-1-2-10(15-11)12-8-6-7(14)4-5-9(8)16-17-12/h1-6H,14H2,(H,16,17)
• InChIKey: UDKGCSSPZXIEFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-fluoropyridin-2-yl)-1H-indazol-5-amine
• IUPAC Traditional name: 3-(6-fluoropyridin-2-yl)-1H-indazol-5-amine
• Synonyms: 3-(6-Fluoropyridin-2-yl)-1H-indazol-5-aMine

Database IDs

• CAS Number: 1356087-88-1

CALCULATED PROPERTIES

• Acid pKa: 12.53188
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.20361
• LogD (pH = 7.4): 2.2052438
• Log P: 2.205268
• Molar Refractivity: 64.2399 cm^3
• Polarizability: 25.493484 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%