8-bromo-2-methylquinolin-4-ol

• ChemBase ID: 308572
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: c12c(c(cc(n1)C)O)cccc2Br
• Canonical SMILES: Cc1cc(O)c2c(n1)c(Br)ccc2
• InChI: InChI=1S/C10H8BrNO/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13)
• InChIKey: VZEQVJZHDYRCBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2-methylquinolin-4-ol
• IUPAC Traditional name: 8-bromo-2-methylquinolin-4-ol
• Synonyms: 8-BROMO-4-HYDROXY-2-METHYLQUINOLINE; 8-bromo-2-methyl-4-quinolinol

Database IDs

• CAS Number: 1201-08-7
• MDL Number: MFCD00484434

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7272537
• LogD (pH = 7.4): 2.7272155
• Log P: 2.727458
• Molar Refractivity: 54.1745 cm^3
• Polarizability: 22.019417 Å^3
• Polar Surface Area: 33.12 Å^2
• Acid pKa: 10.65023
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%