methyl 6-bromo-2-hydroxyquinoline-4-carboxylate

• ChemBase ID: 311648
• Molecular Formular: C11H8BrNO3
• Molecular Mass: 282.09012
• Monoisotopic Mass: 280.96875512
• SMILES: c1(c2c(nc(c1)O)ccc(c2)Br)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(O)nc2c1cc(Br)cc2
• InChI: InChI=1S/C11H8BrNO3/c1-16-11(15)8-5-10(14)13-9-3-2-6(12)4-7(8)9/h2-5H,1H3,(H,13,14)
• InChIKey: QISAGMFLCVNNBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-bromo-2-hydroxyquinoline-4-carboxylate
• IUPAC Traditional name: methyl 6-bromo-2-hydroxyquinoline-4-carboxylate
• Synonyms: methyl 6-bromo-2-hydroxyquinoline-4-carboxylate

Database IDs

• CAS Number: 66416-74-8
• MDL Number: MFCD03013652

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1940207
• LogD (pH = 7.4): 3.193922
• Log P: 3.1940222
• Molar Refractivity: 61.9218 cm^3
• Polarizability: 24.778534 Å^3
• Polar Surface Area: 59.42 Å^2