METHYL 2,6-DICHLOROISONICOTINATE

The 4-Pyridinecarboxylicacid, 2,6-dichloro-, methyl ester, with the CAS registry number 42521-09-5, is also known as Methyl 2,6-dichloroisonicotinate. It belongs to the product categories of Esters; Pyridines. Its EINECS registry number is 255-868-5. This chemical's molecular formula is C₇H₅Cl₂NO₂ and molecular weight is 206.03. Its systematic name is called methyl 2,6-dichloropyridine-4-carboxylate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties of 4-Pyridinecarboxylicacid, 2,6-dichloro-, methyl ester: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 2.36; (4)ACD/BCF (pH 5.5): 36.55; (5)ACD/BCF (pH 7.4): 36.55; (6)ACD/KOC (pH 5.5): 457.46; (7)ACD/KOC (pH 7.4): 457.46; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.548; (11)Molar Refractivity: 45.9 cm³; (12)Molar Volume: 144.4 cm³; (13)Surface Tension: 46.8 dyne/cm; (14)Density: 1.426 g/cm³; (15)Flash Point: 134.2 °C; (16)Enthalpy of Vaporization: 53.82 kJ/mol; (17)Boiling Point: 298.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00128 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,6-dihydroxy-isonicotinic acid and tetramethyl-ammonium; chloride. This reaction will need reagent POCl³. The reaction time is 18 hours with reaction temperature of 130 °C. The yield is about 76%.

Uses of 4-Pyridinecarboxylicacid, 2,6-dichloro-, methyl ester: it can be used to produce 2,6-dichloro-isonicotinic acid. This reaction will need reagent aq. LiOH and solvent tetrahydrofuran. The yield is about 100%.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(nc(c1)Cl)Cl
(2)InChI: InChI=1/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3
(3)InChIKey: XSKGHSUHOYEBTK-UHFFFAOYAG