6,8-dibromo-2-methylquinolin-3-ol

• ChemBase ID: 40880
• Molecular Formular: C10H7Br2NO
• Molecular Mass: 316.97668
• Monoisotopic Mass: 314.88943785
• SMILES: n1c2c(cc(c1C)O)cc(cc2Br)Br
• Canonical SMILES: Brc1cc2cc(O)c(nc2c(c1)Br)C
• InChI: InChI=1S/C10H7Br2NO/c1-5-9(14)3-6-2-7(11)4-8(12)10(6)13-5/h2-4,14H,1H3
• InChIKey: CFQPLIFZQANEHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dibromo-2-methylquinolin-3-ol
• IUPAC Traditional name: 6,8-dibromo-2-methylquinolin-3-ol
• Synonyms: 6,8-Dibromo-2-methyl-3-quinolinol; 6,8-Dibromo-2-methylquinolin-3-ol

Database IDs

• MDL Number: MFCD03617848
• PubChem SID: 162045643
• PubChem CID: 1472973

CALCULATED PROPERTIES

• Acid pKa: 9.837653
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4948068
• LogD (pH = 7.4): 3.4946373
• Log P: 3.4962106
• Molar Refractivity: 61.7973 cm^3
• Polarizability: 24.974167 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 252 (dec) °C; 252°C(dec); 252(dec.)°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%