Ethyl 2-chloronicotinate

The Ethyl 2-chloronicotinate, with the CAS registry number 1452-94-4, has the systematic name and IUPAC name of ethyl 2-chloropyridine-3-carboxylate. It belongs to the following product categories: Pharmaceutical Intermediates; Pyridine; Fluorobenzene; Pyridines. And the molecular formula of this chemical is C₈H₈ClNO₂.

The physical properties of Ethyl 2-chloronicotinate are as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.14; (6)ACD/BCF (pH 7.4): 13.14; (7)ACD/KOC (pH 5.5): 219.95; (8)ACD/KOC (pH 7.4): 219.95; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Ų; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 45.64 cm³; (15)Molar Volume: 149 cm³; (16)Polarizability: 18.09×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.245 g/cm³; (19)Flash Point: 108.1 °C; (20)Enthalpy of Vaporization: 49.25 kJ/mol; (21)Boiling Point: 255.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0166 mmHg at 25°C.

Preparation of Ethyl 2-chloronicotinate: This chemical can be prepared by 2-chloro-nicotinoyl chloride and ethanol. And the yield is about 95%. 

Uses of Ethyl 2-chloronicotinate: It can react with 3-chloro-2-methyl-aniline to produce 2-(3-chloro-2-methyl-anilino)-nicotinic acid ethyl ester. And the yield is about 76%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cccnc1Cl
(2)InChI: InChI=1/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3
(3)InChIKey: PMIMPBYTPPRBGD-UHFFFAOYAW