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458543-81-2

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Basic Information
CAS No.: 458543-81-2
Name: 3-AMINO-2,6-DICHLOROPYRIDINE-4-CARBOXYLIC ACID METHYL ESTER
Molecular Structure:
Molecular Structure of 458543-81-2 (3-AMINO-2,6-DICHLOROPYRIDINE-4-CARBOXYLIC ACID METHYL ESTER)
Formula: C8H8Cl2N2O2
Molecular Weight: 235.0673
Synonyms: Methyl 3-amino-2,6-dichloro-4-pyridinecarboxylate;Ethyl 3-amino-2,6-dichloro-pyridine-4-carboxylate;
Density: 1.44 g/cm3
Boiling Point: 370.6 °C at 760 mmHg
Flash Point: 178 °C
PSA: 65.21000
LogP: 2.33840
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Specification

The 4-Pyridinecarboxylicacid, 3-amino-2,6-dichloro-, ethyl ester, with the CAS registry number 458543-81-2, is also known as Methyl 3-amino-2,6-dichloro-4-pyridinecarboxylate. It belongs to the product categories of Esters; Pyridines. The molecular formula of this chemical is C8H8Cl2N2O2 and molecular weight is 235.0673. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 3-amino-2,6-dichloro-pyridine-4-carboxylate. 

Physical properties about 4-Pyridinecarboxylicacid, 3-amino-2,6-dichloro-, ethyl ester are: (1)ACD/LogP: 3.87; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 65.21 Å2; (9)Index of Refraction: 1.585; (10)Molar Refractivity: 54.77 cm3; (11)Molar Volume: 163.2 cm3; (12)Polarizability: 21.71×10-24 cm3; (13)Surface Tension: 54.5 dyne/cm; (14)Density: 1.44 g/cm3; (15)Flash Point: 178 °C; (16)Enthalpy of Vaporization: 61.76 kJ/mol; (17)Boiling Point: 370.6 °C at 760 mmHg; (18)Vapour Pressure: 1.09E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cc(nc(c1N)Cl)Cl
(2) InChI: InChI=1/C8H8Cl2N2O2/c1-2-14-8(13)4-3-5(9)12-7(10)6(4)11/h3H,2,11H2,1H3
(3) InChIKey: ZBHSEGWPJCOBKP-UHFFFAOYAY