6,8-dibromo-2-methylquinolin-4-ol

• ChemBase ID: 805261
• Molecular Formular: C10H7Br2NO
• Molecular Mass: 316.97668
• Monoisotopic Mass: 314.88943785
• SMILES: c1c(c2c(cc1Br)c(cc(n2)C)O)Br
• Canonical SMILES: Brc1cc(Br)c2c(c1)c(O)cc(n2)C
• InChI: InChI=1S/C10H7Br2NO/c1-5-2-9(14)7-3-6(11)4-8(12)10(7)13-5/h2-4H,1H3,(H,13,14)
• InChIKey: KCLJDCWIGXDKCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dibromo-2-methylquinolin-4-ol
• IUPAC Traditional name: 6,8-dibromo-2-methylquinolin-4-ol
• Synonyms: 6,8-DIBROMO-2-METHYL-4-QUINOLINOL

Database IDs

• CAS Number: 948294-52-8

CALCULATED PROPERTIES

• Acid pKa: 10.520488
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4961796
• LogD (pH = 7.4): 3.495887
• Log P: 3.4962106
• Molar Refractivity: 61.7973 cm^3
• Polarizability: 24.974016 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%