(8-methoxyquinolin-5-yl)boronic acid

• ChemBase ID: 306675
• Molecular Formular: C10H10BNO3
• Molecular Mass: 203.0023
• Monoisotopic Mass: 203.07537359
• SMILES: c12c(B(O)O)ccc(c1nccc2)OC
• Canonical SMILES: COc1ccc(c2c1nccc2)B(O)O
• InChI: InChI=1S/C10H10BNO3/c1-15-9-5-4-8(11(13)14)7-3-2-6-12-10(7)9/h2-6,13-14H,1H3
• InChIKey: JTSWRFOAZFMVBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8-methoxyquinolin-5-yl)boronic acid
• IUPAC Traditional name: 8-methoxyquinolin-5-ylboronic acid
• Synonyms: (8-methoxyquinolin-5-yl)boronic acid

Database IDs

• CAS Number: 1025735-47-0
• MDL Number: MFCD07357508

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4761935
• LogD (pH = 7.4): 1.453551
• Log P: 1.4765
• Molar Refractivity: 50.988 cm^3
• Polarizability: 22.677176 Å^3
• Polar Surface Area: 62.58 Å^2
• Acid pKa: 8.663151
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%