6-BROMO-[2,2'-BIPYRIDINE]-4-CARBOXYLIC ACID

This chemical is called [2,2'-Bipyridine]-4-carboxylicacid, 6-bromo-, and it can also be named as Acide 6-bromo-2,2'-bipyridine-4-carboxylique. With the molecular formula of C₁₁H₇BrN₂O₂, its molecular weight is 279.09. The CAS registry number of this chemical is 294211-87-3, and its systematic name is 6-Bromo-2,2'-bipyridine-4-carboxylic acid. 

Other characteristics of the [2,2'-Bipyridine]-4-carboxylicacid, 6-bromo- can be summarised as followings: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -1.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Ų; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 61.64 cm³; (15)Molar Volume: 169.8 cm³; (16)Polarizability: 24.43×10^-24 cm³; (17)Surface Tension: 64.5 dyne/cm; (18)Density: 1.642 g/cm³; (19)Flash Point: 272.7 °C; (20)Enthalpy of Vaporization: 84.4 kJ/mol; (21)Boiling Point: 527.2 °C at 760 mmHg; (22)Vapour Pressure: 6.06E-12 mmHg at 25°C.

Production method of this chemical: The [2,2'-Bipyridine]-4-carboxylicacid, 6-bromo- and 6-Bromo-[2,2']bipyridinyl-4-carboxylic acid ethyl ester could be obtained by the reactants of 2,6-Dibromo-isonicotinic acid ethyl ester and Pyridyl-(2)-tributylzinn. This reaction needs the catalyst of (Ph₃Ph)₄Pd, and the solvent of toluene. The yield is 38 %. In addition, this reaction should be taken for 16 hours at the temperature of 110 °C.



You can still convert the following datas into molecular structure:
1.SMILES: c1ccnc(c1)c2cc(cc(n2)Br)C(=O)O
2.InChI: InChI=1/C11H7BrN2O2/c12-10-6-7(11(15)16)5-9(14-10)8-3-1-2-4-13-8/h1-6H,(H,15,16)
3.InChIKey: DPSRYFHRRBRKDI-UHFFFAOYAZ