2-Chloro-6-methoxyisonicotinoyl chloride

The 2-Chloro-6-methoxypyridine-4-carbonyl chloride, with the CAS registry number 116853-97-5, has the systematic name of 2-chloro-6-methoxypyridine-4-carbonyl chloride. It belongs to the product categories of Acid Halide and Pyridine. And the molecular formula of the chemical is C₇H₅Cl₂NO₂.

The characteristics of 2-Chloro-6-methoxypyridine-4-carbonyl chloride are as followings: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.86; (6)ACD/BCF (pH 7.4): 62.86; (7)ACD/KOC (pH 5.5): 674.32; (8)ACD/KOC (pH 7.4): 674.32; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 46.16 cm³; (15)Molar Volume: 145 cm³; (16)Polarizability: 18.3×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 122.6 °C; (20)Enthalpy of Vaporization: 51.78 kJ/mol; (21)Boiling Point: 279.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0041 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. What's more, if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Cl)c1cc(OC)nc(Cl)c1
(2)InChI: InChI=1/C7H5Cl2NO2/c1-12-6-3-4(7(9)11)2-5(8)10-6/h2-3H,1H3
(3)InChIKey: RITCMXVSFUDYGY-UHFFFAOYAR