ETHYL 2,4-DICHLORO-6-METHYLPYRIDINE-3-CARBOXYLATE

The IUPAC name of Ethyl ester,2,4-dichloro-6-methyl-3-pyridinecarboxylic acid is ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate. With the CAS registry number 86129-63-7, it is also named as Ethyl 2,4-dichloro-6-methylnicotinate. The product's category is Pharmacetical. In addition, its molecular formula is C₉H₉Cl₂NO₂ and its molecular weight is 234.08.

The other characteristics of Ethyl ester,2,4-dichloro-6-methyl-3-pyridinecarboxylic acid can be summarized as: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 38.14; (6)ACD/BCF (pH 7.4): 38.14; (7)ACD/KOC (pH 5.5): 471.56; (8)ACD/KOC (pH 7.4): 471.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 55.36 cm³; (15)Molar Volume: 177.2 cm³; (16)Polarizability: 21.94×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 134.1 °C; (20)Melting Point: 53 °C; (21)Enthalpy of Vaporization: 53.81 kJ/mol; (22)Boiling Point: 298.2 °C at 760 mmHg; (23)Vapour Pressure: 0.00129 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)c1c(Cl)cc(nc1Cl)C
(2)InChI: InChI=1/C9H9Cl2NO2/c1-3-14-9(13)7-6(10)4-5(2)12-8(7)11/h4H,3H2,1-2H3
(3)InChIKey: ZNFJVVLTQSOWJY-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)7-6(10)4-5(2)12-8(7)11/h4H,3H2,1-2H3
(5)Std. InChIKey: ZNFJVVLTQSOWJY-UHFFFAOYSA-N