6-bromo-2-methylquinolin-4-ol

• ChemBase ID: 308520
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: c12c(nc(cc1O)C)ccc(c2)Br
• Canonical SMILES: Brc1ccc2c(c1)c(O)cc(n2)C
• InChI: InChI=1S/C10H8BrNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)
• InChIKey: WPSHYKVAGQUPJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methylquinolin-4-ol
• IUPAC Traditional name: 6-bromo-2-methylquinolin-4-ol
• Synonyms: 6-bromo-2-methyl-4-quinolinol

Database IDs

• CAS Number: 103030-28-0
• MDL Number: MFCD00484433

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7271903
• LogD (pH = 7.4): 2.7272213
• Log P: 2.727458
• Molar Refractivity: 54.1745 cm^3
• Polarizability: 22.010828 Å^3
• Polar Surface Area: 33.12 Å^2
• Acid pKa: 10.662538
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%