3,4,5-Trichloropyridine-2-carboxylic acid (5439-04-3)

The 3,4,5-Trichloropyridine-2-carboxylic acid with the CAS number 5439-04-3 is also called 2-Pyridinecarboxylic acid, 3,4,5-trichloro-. The IUPAC name is 3,4,5-trichloropyridine-2-carboxylate. Its molecular formula is C₆H₂Cl₃NO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3,4,5-Trichloropyridine-2-carboxylic acid are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 39.19 Å²; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 45.95 cm³; (13)Molar Volume: 131 cm³; (14)Polarizability: 18.21×10^-24cm³; (15)Surface Tension: 64.3 dyne/cm; (16)Enthalpy of Vaporization: 61.12 kJ/mol; (17)Vapour Pressure: 4.56×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(Cl)c(Cl)cnc1C(=O)O
(2)InChI: InChI=1/C6H2Cl3NO2/c7-2-1-10-5(6(11)12)4(9)3(2)8/h1H,(H,11,12)
(3)InChIKey: SKURPVMALGSJSE-UHFFFAOYAM