4-(2-methoxyphenyl)-7-methyl-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione

• ChemBase ID: 228206
• Molecular Formular: C16H15NO4
• Molecular Mass: 285.2946
• Monoisotopic Mass: 285.10010797
• SMILES: c12c(cc([nH]c1=O)C)OC(=O)CC2c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C1CC(=O)Oc2c1c(=O)[nH]c(c2)C
• InChI: InChI=1S/C16H15NO4/c1-9-7-13-15(16(19)17-9)11(8-14(18)21-13)10-5-3-4-6-12(10)20-2/h3-7,11H,8H2,1-2H3,(H,17,19)
• InChIKey: PYPRCGZPCRVRCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenyl)-7-methyl-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione
• IUPAC Traditional name: 4-(2-methoxyphenyl)-7-methyl-3H,4H,6H-pyrano[3,2-c]pyridine-2,5-dione

Database IDs

• PubChem SID: 164284116
• PubChem CID: 71755321

CALCULATED PROPERTIES

• Acid pKa: 10.90245
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1816894
• LogD (pH = 7.4): 1.1815699
• Log P: 1.1816909
• Molar Refractivity: 78.5958 cm^3
• Polarizability: 29.468437 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds