6-Chloro-4-methoxypyridine-2-carboxylic acid (88912-21-4)

The 6-Chloro-4-methoxypyridine-2-carboxylic acid, with CAS registry number 88912-21-4, has the systematic name of methyl 6-chloro-4-methoxy-pyridine-2-carboxylate. And its IUPAC name is the same one. Besides this, it is also called 4-Methoxy-6-chloropicolinic acid. And the chemical formula of this chemical is C₇H₆ClNO₃.

Physical properties of 6-Chloro-4-methoxypyridine-2-carboxylic acid: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.78; (6)ACD/BCF (pH 7.4): 11.78; (7)ACD/KOC (pH 5.5): 203.45; (8)ACD/KOC (pH 7.4): 203.45; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 47.69 cm³; (15)Molar Volume: 156.5 cm³; (16)Polarizability: 18.9×10^-24cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Enthalpy of Vaporization: 56.45 kJ/mol; (19)Vapour Pressure: 0.000276 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(nc(c1)Cl)C(=O)OC
(2)InChI: InChI=1/C8H8ClNO3/c1-12-5-3-6(8(11)13-2)10-7(9)4-5/h3-4H,1-2H3
(3)InChIKey: PCBQMUWCNOOYDT-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8ClNO3/c1-12-5-3-6(8(11)13-2)10-7(9)4-5/h3-4H,1-2H3
(5)Std. InChIKey: PCBQMUWCNOOYDT-UHFFFAOYSA-N