3-Pyridinecarboxylicacid, 5-bromo-6-chloro-, methyl ester (78686-77-8)

The 3-Pyridinecarboxylicacid, 5-bromo-6-chloro-, methyl ester, has its cas register number 78686-77-8. And it has other names,such as methyl 5-bromo-6-chloronicotinate; 5-bromo-6-chloronicotinic acid methyl ester; methyl 3-bromo-2-chloropyridine-5-carboxylate. Its IUPAC Name is methyl 5-bromo-6-chloropyridine-3-carboxylate.

The physical properties of this chemical are as followings: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 2.37; (3)ACD/LogD (pH 7.4): 2.37; (4)ACD/BCF (pH 5.5): 37.11; (5)ACD/BCF (pH 7.4): 37.11; (6)ACD/KOC (pH 5.5): 462.44; (7)ACD/KOC (pH 7.4): 462.44; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.19; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 48.7 cm³; (13)Molar Volume: 148.6 cm³; (14)Polarizability: 19.3 ×10^-24 cm³; (15)Surface Tension: 48.6 dyne/cm; (16)Density: 1.684 g/cm³; (17)Flash Point: 122.7 °C; (18)Enthalpy of Vaporization: 51.79 kJ/mol; (19)Boiling Point: 279.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00407 mmHg at 25°C.

Being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes. So you should be very careful while dealing with it. Wear suitable protective clothing and gloves, and if any accident, go to seek for medical treatment immediately.

As to its usage, it is widely used in pharmaceutics, mainly as the medical intermediates. And its product categories are including api intermediates; pyridine; esters; pyridines.
 
In addition, you could obtain the molecular structure by converting the following datas:
SMILES:Brc1cc(C(=O)OC)cnc1Cl
InChI:InChI=1/C7H5BrClNO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3
InChIKey:WINGWVOUOFMOJQ-UHFFFAOYAR