2-hydroxy-6-methoxyquinoline-3-carbaldehyde

• ChemBase ID: 192704
• Molecular Formular: C11H9NO3
• Molecular Mass: 203.19406
• Monoisotopic Mass: 203.05824315
• SMILES: n1c(c(cc2c1ccc(c2)OC)C=O)O
• Canonical SMILES: COc1ccc2c(c1)cc(c(n2)O)C=O
• InChI: InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(14)12-10/h2-6H,1H3,(H,12,14)
• InChIKey: CUYFVLXHUGFIPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-6-methoxyquinoline-3-carbaldehyde
• IUPAC Traditional name: 2-hydroxy-6-methoxyquinoline-3-carbaldehyde
• Synonyms: 2-hydroxy-6-methoxyquinoline-3-carbaldehyde

Database IDs

• CAS Number: 123990-78-3
• MDL Number: MFCD02996307
• PubChem SID: 164248614
• PubChem CID: 802432

CALCULATED PROPERTIES

• Acid pKa: 10.667651
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6266086
• LogD (pH = 7.4): 2.6263921
• Log P: 2.6266239
• Molar Refractivity: 55.3209 cm^3
• Polarizability: 21.958897 Å^3
• Polar Surface Area: 59.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds