3-bromo-1-methyl-1H-indazol-6-amine

• ChemBase ID: 288011
• Molecular Formular: C8H8BrN3
• Molecular Mass: 226.07322
• Monoisotopic Mass: 224.99015927
• SMILES: Nc1cc2c(cc1)c(Br)nn2C
• Canonical SMILES: Nc1ccc2c(c1)n(C)nc2Br
• InChI: InChI=1S/C8H8BrN3/c1-12-7-4-5(10)2-3-6(7)8(9)11-12/h2-4H,10H2,1H3
• InChIKey: JVIGJNCYOXHIBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-1-methyl-1H-indazol-6-amine
• IUPAC Traditional name: 3-bromo-1-methylindazol-6-amine
• Synonyms: 3-Bromo-1-methyl-1H-indazol-6-amine

Database IDs

• CAS Number: 1203181-56-9
• MDL Number: MFCD12827698
• PubChem SID: 180673542
• PubChem CID: 49761762

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5635743
• LogD (pH = 7.4): 1.5653102
• Log P: 1.5653324
• Molar Refractivity: 64.4545 cm^3
• Polarizability: 20.335855 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%