2-(2-hydroxyphenyl)-3H,4H,5H-chromeno[3,4-c]pyridine-4,5-dione

• ChemBase ID: 188232
• Molecular Formular: C18H11NO4
• Molecular Mass: 305.28424
• Monoisotopic Mass: 305.06880784
• SMILES: c12c(cc([nH]c1=O)c1c(O)cccc1)c1c(oc2=O)cccc1
• Canonical SMILES: Oc1ccccc1c1[nH]c(=O)c2c(c1)c1ccccc1oc2=O
• InChI: InChI=1S/C18H11NO4/c20-14-7-3-1-6-11(14)13-9-12-10-5-2-4-8-15(10)23-18(22)16(12)17(21)19-13/h1-9,20H,(H,19,21)
• InChIKey: RWDROGNNLUBSTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244142
• PubChem CID: 933771

CALCULATED PROPERTIES

• Acid pKa: 9.095195
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7615076
• LogD (pH = 7.4): 1.7530694
• Log P: 1.7616161
• Molar Refractivity: 84.6493 cm^3
• Polarizability: 31.73172 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Tautomers
• Classification: Derivatives & analogs of Natural Compounds