3-bromo-4-methylquinolin-2-ol

• ChemBase ID: 308424
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: n1c(c(c(c2c1cccc2)C)Br)O
• Canonical SMILES: Brc1c(O)nc2c(c1C)cccc2
• InChI: InChI=1S/C10H8BrNO/c1-6-7-4-2-3-5-8(7)12-10(13)9(6)11/h2-5H,1H3,(H,12,13)
• InChIKey: ATONPIUAJAKDQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-methylquinolin-2-ol
• IUPAC Traditional name: 3-bromo-4-methylquinolin-2-ol
• Synonyms: 3-bromo-4-methyl-2-quinolinol

Database IDs

• CAS Number: 37778-22-6
• MDL Number: MFCD02315177

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7039363
• LogD (pH = 7.4): 3.7032785
• Log P: 3.7039666
• Molar Refractivity: 54.9377 cm^3
• Polarizability: 22.025534 Å^3
• Polar Surface Area: 33.12 Å^2