3-chloro-1H-indazol-5-amine

• ChemBase ID: 806286
• Molecular Formular: C7H6ClN3
• Molecular Mass: 167.59564
• Monoisotopic Mass: 167.02502489
• SMILES: c1(n[nH]c2ccc(cc12)N)Cl
• Canonical SMILES: Nc1ccc2c(c1)c(Cl)n[nH]2
• InChI: InChI=1S/C7H6ClN3/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,9H2,(H,10,11)
• InChIKey: CXLAMAWMZAQBKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-1H-indazol-5-amine
• IUPAC Traditional name: 3-chloro-1H-indazol-5-amine
• Synonyms: 3-CHLORO-1H-INDAZOL-5-AMINE

Database IDs

• CAS Number: 41330-49-8

CALCULATED PROPERTIES

• Acid pKa: 12.4700985
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2905352
• LogD (pH = 7.4): 1.2915865
• Log P: 1.2916036
• Molar Refractivity: 46.6396 cm^3
• Polarizability: 17.71376 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%