3,5-Pyridinedicarboxylicacid, 2-(chloromethyl)-4-(2,4-dichlorophenyl)-6-methyl-, 3-ethyl5-(phenylmethyl) ester (915296-81-0)

The systematic name of 2-Chloromethyl-4-(2,4-dichlorophenyl)-6-methylpyridine-3,5-dicarboxylic acid 5-benzyl 3-ethyl ester is 5-benzyl 3-ethyl 2-(chloromethyl)-4-(2,4-dichlorophenyl)-6-methylpyridine-3,5-dicarboxylate. With the CAS registry number 915296-81-0, it is also named as 3,5-Pyridinedicarboxylic acid, 2-(chloromethyl)-4-(2,4-dichlorophenyl)-6-methyl-, 3-ethyl 5-(phenylmethyl) ester. In addition, its molecular formula is C₂₄H₂₀Cl₃NO₄ and its molecular weight is 492.78. 

The other characteristics of 2-Chloromethyl-4-(2,4-dichlorophenyl)-6-methylpyridine-3,5-dicarboxylic acid 5-benzyl 3-ethyl ester can be summarized as: (1)ACD/LogP: 6.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.17; (4)ACD/LogD (pH 7.4): 6.17; (5)ACD/BCF (pH 5.5): 28818.67; (6)ACD/BCF (pH 7.4): 28818.67; (7)ACD/KOC (pH 5.5): 54177.57; (8)ACD/KOC (pH 7.4): 54177.57; (9)H bond acceptors: 5; (10)H bond donors: 0; (11)Freely Rotating Bonds: 9; (12)Polar Surface Area: 65.49 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 125.98 cm³; (15)Molar Volume: 368.8 cm³; (16)Polarizability: 49.94×10^-24cm³; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.336 g/cm³; (19)Flash Point: 308.9 °C; (20)Enthalpy of Vaporization: 87.67 kJ/mol; (21)Boiling Point: 587.1 °C at 760 mmHg; (22)Vapour Pressure: 9.11E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:ClCc1nc(c(c(c1C(=O)OCC)c2ccc(Cl)cc2Cl)C(=O)OCc3ccccc3)C
(2)InChI:InChI=1/C24H20Cl3NO4/c1-3-31-24(30)22-19(12-25)28-14(2)20(21(22)17-10-9-16(26)11-18(17)27)23(29)32-13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3
(3)InChIKey:MLAXTRGOAHHIDA-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C24H20Cl3NO4/c1-3-31-24(30)22-19(12-25)28-14(2)20(21(22)17-10-9-16(26)11-18(17)27)23(29)32-13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3
(5)Std. InChIKey:MLAXTRGOAHHIDA-UHFFFAOYSA-N