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

• ChemBase ID: 227755
• Molecular Formular: C15H13NO4
• Molecular Mass: 271.26802
• Monoisotopic Mass: 271.0844579
• SMILES: c12c(cc([nH]c1=O)C)OC(=O)CC2c1ccc(cc1)O
• Canonical SMILES: O=C1Oc2cc(C)[nH]c(=O)c2C(C1)c1ccc(cc1)O
• InChI: InChI=1S/C15H13NO4/c1-8-6-12-14(15(19)16-8)11(7-13(18)20-12)9-2-4-10(17)5-3-9/h2-6,11,17H,7H2,1H3,(H,16,19)
• InChIKey: CQRBLWFNHKAZFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283665
• PubChem CID: 71754875

CALCULATED PROPERTIES

• Acid pKa: 9.480529
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0357519
• LogD (pH = 7.4): 1.0322386
• Log P: 1.0357969
• Molar Refractivity: 74.1135 cm^3
• Polarizability: 27.563248 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds