3-Pyridinecarboxylicacid, 2-amino-4,6-dichloro-, methyl ester (1044872-40-3)

The 2-Amino-4,6-dichloro-nicotinic acid methyl ester is a kind of organic compounds with cas registry number of 1044872-40-3. It has the systematic name which is called Methyl 2-amino-4,6-dichloronicotinate.

The physical properties about this chemical are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.802; (4)ACD/LogD (pH 7.4): 2.802; (5)ACD/BCF (pH 5.5): 79.347; (6)ACD/BCF (pH 7.4): 79.347; (7)ACD/KOC (pH 5.5): 796.698; (8)ACD/KOC (pH 7.4): 796.699; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 50.144 cm³; (14)Molar Volume: 146.732 cm³; (15)Surface Tension: 57.379 dyne/cm; (16)Density: 1.506 g/cm³; (17)Flash Point: 146.808 °C; (18)Enthalpy of Vaporization: 56.069 kJ/mol; (19)Boiling Point: 319.135 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1c(cc(nc1N)Cl)Cl;
(2)InChI: InChI=1/C7H6Cl2N2O2/c1-13-7(12)5-3(8)2-4(9)11-6(5)10/h2H,1H3,(H2,10,11);
(3)InChIKey: HJZKXHRUERDKKA-UHFFFAOYAN