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

• ChemBase ID: 227980
• Molecular Formular: C15H13NO3
• Molecular Mass: 255.26862
• Monoisotopic Mass: 255.08954328
• SMILES: c12c(cc([nH]c1=O)C)OC(=O)CC2c1ccccc1
• Canonical SMILES: O=C1Oc2cc(C)[nH]c(=O)c2C(C1)c1ccccc1
• InChI: InChI=1S/C15H13NO3/c1-9-7-12-14(15(18)16-9)11(8-13(17)19-12)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,16,18)
• InChIKey: QWXKEWDNFZLIJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283890
• PubChem CID: 71755099

CALCULATED PROPERTIES

• Acid pKa: 10.91638
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3393607
• LogD (pH = 7.4): 1.3392451
• Log P: 1.3393621
• Molar Refractivity: 72.1326 cm^3
• Polarizability: 26.937 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds