4-Pyridinecarboxylicacid, 5-bromo-2-chloro- (886365-31-7)

The 5-Bromo-2-chloroisonicotinic acid, with CAS registry number 886365-31-7, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Carboxes; (4)Pyridines. Its systematic name and its IUPAC name is the same, which is 5-bromo-2-chloropyridine-4-carboxylic acid. And the chemical formula of this chemical is C₆H₃BrClNO_2.

Physical properties of 5-Bromo-2-chloroisonicotinic acid: (1)ACD/LogP: 2.07; (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: 50.19 Å²; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 43.85 cm³; (13)Molar Volume: 123.3 cm³; (14)Polarizability: 17.38×10^-24cm³; (15)Surface Tension: 64.8 dyne/cm; (16)Enthalpy of Vaporization: 70.95 kJ/mol; (17)Vapour Pressure: 8.81E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(Cl)ncc1Br
(2)InChI: InChI=1/C6H3BrClNO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
(3)InChIKey: YRPRNBZLQPBYDS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H3BrClNO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
(5)Std. InChIKey: YRPRNBZLQPBYDS-UHFFFAOYSA-N