7-bromo-1H-indazol-6-amine

• ChemBase ID: 248507
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: c12c(c(ccc2cn[nH]1)N)Br
• Canonical SMILES: Nc1ccc2c(c1Br)[nH]nc2
• InChI: InChI=1S/C7H6BrN3/c8-6-5(9)2-1-4-3-10-11-7(4)6/h1-3H,9H2,(H,10,11)
• InChIKey: YFKYXCQIJAASSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1H-indazol-6-amine
• IUPAC Traditional name: 7-bromo-1H-indazol-6-amine
• Synonyms: 7-bromo-1H-indazol-6-amine

Database IDs

• MDL Number: MFCD18801079
• PubChem SID: 164304417
• PubChem CID: 19354412

CALCULATED PROPERTIES

• Acid pKa: 13.416296
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2358644
• LogD (pH = 7.4): 1.2361306
• Log P: 1.2361344
• Molar Refractivity: 48.3963 cm^3
• Polarizability: 18.537495 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.097

Product Information

• Purity: 95%