Dimethyl 4-hydroxypyridine-2,6-dicarboxylate

The Dimethyl 4-hydroxypyridine-2,6-dicarboxylate, with the CAS registry number 19872-91-4, is also known as Pyridine-2,6-dicarboxylic acid, 1,4-dihydro-4-oxo-, dimethyl ester. This chemical's molecular formula is C₉H₉NO₅ and molecular weight is 211.1715. What's more, its systematic name is called Dimethyl 4-oxo-1,4-dihydropyridine-2,6-dicarboxylate.

Physical properties about Dimethyl 4-hydroxypyridine-2,6-dicarboxylate are: (1) ACD/LogP: -1.91; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.09; (4) ACD/LogD (pH 7.4): -3.39; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1.43; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 6; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 72.91 Å²; (13) Index of Refraction: 1.519; (14) Molar Refractivity: 47.63 cm³; (15) Molar Volume: 156.7 cm³; (16) Surface Tension: 48.1 dyne/cm; (17) Density: 1.346 g/cm³; (18) Flash Point: 164.8 °C; (19) Enthalpy of Vaporization: 59.34 kJ/mol; (20) Boiling Point: 349 °C at 760 mmHg; (21) Vapour Pressure: 4.86E-05 mmHg at 25 °C.

Uses of Dimethyl 4-hydroxypyridine-2,6-dicarboxylate: it is used to produce other chemicals. For example, it is used to produce 4-Allyloxy-pyridine-2,6-dicarboxylic acid dimethyl ester. The reaction occurs with reagent K₂CO₃, solvent Acetone and other condition of heating for 24 hours. The yield is 62 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1/C=C(/C(=O)OC)NC(/C(=O)OC)=C/1
(2) InChI: InChI=1/C9H9NO5/c1-14-8(12)6-3-5(11)4-7(10-6)9(13)15-2/h3-4H,1-2H3,(H,10,11)
(3) InChIKey: FERASHUCDLDGHK-UHFFFAOYAM