6-chloro-1H-indazol-5-amine

• ChemBase ID: 293117
• Molecular Formular: C7H6ClN3
• Molecular Mass: 167.59564
• Monoisotopic Mass: 167.02502489
• SMILES: Nc1cc2c([nH]nc2)cc1Cl
• Canonical SMILES: Clc1cc2[nH]ncc2cc1N
• InChI: InChI=1S/C7H6ClN3/c8-5-2-7-4(1-6(5)9)3-10-11-7/h1-3H,9H2,(H,10,11)
• InChIKey: ZUCDYBREEPULBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-1H-indazol-5-amine
• IUPAC Traditional name: 6-chloro-1H-indazol-5-amine
• Synonyms: 6-Chloro-1H-indazol-5-amine

Database IDs

• CAS Number: 221681-75-0
• MDL Number: MFCD08690108
• PubChem SID: 180678648
• PubChem CID: 22022411

CALCULATED PROPERTIES

• Acid pKa: 14.0677595
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0712332
• LogD (pH = 7.4): 1.0714239
• Log P: 1.0714264
• Molar Refractivity: 45.5783 cm^3
• Polarizability: 17.643484 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%