6-fluoro-1H-indazol-3-amine

• ChemBase ID: 234967
• Molecular Formular: C7H6FN3
• Molecular Mass: 151.1410432
• Monoisotopic Mass: 151.05457543
• SMILES: n1[nH]c2c(c1N)ccc(c2)F
• Canonical SMILES: Fc1ccc2c(c1)[nH]nc2N
• InChI: InChI=1S/C7H6FN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11)
• InChIKey: JKOGFRGFWFEFNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-1H-indazol-3-amine
• IUPAC Traditional name: 6-fluoro-1H-indazol-3-amine
• Synonyms: 6-fluoro-1H-indazol-3-amine; 6-FLUORO-1H-INDAZOL-3-YLAMINE

Database IDs

• CAS Number: 404827-75-4
• MDL Number: MFCD06739129
• PubChem SID: 164290877
• PubChem CID: 21939267

CALCULATED PROPERTIES

• Acid pKa: 14.912874
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.203208
• LogD (pH = 7.4): 1.2045244
• Log P: 1.2045412
• Molar Refractivity: 41.3034 cm^3
• Polarizability: 15.423404 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.515

Product Information

• Purity: 95%; 98%