2,3'-Bipyridine (581-50-0)

The 2,3'-Bipyridine with the CAS number 581-50-0 is also called 2-(3-Pyridinyl)pyridine. The IUPAC name is 2-pyridin-3-ylpyridine. Its molecular formula is C₁₀H₈N₂. The EINECS registry number is 209-468-2. This chemical belongs to the following product categories: (1)Metabolites; (2)Nicotine Derivatives. It is pale yellow oil.

The properties of the 2,3'-Bipyridine are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.84; (6)ACD/BCF (pH 7.4): 5.87; (7)ACD/KOC (pH 5.5): 122.81; (8)ACD/KOC (pH 7.4): 123.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78Ų; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 47.02 cm³; (15)Molar Volume: 141.1 cm³; (16)Polarizability: 18.64×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Enthalpy of Vaporization: 51.36 kJ/mol; (19)Vapour Pressure: 0.00271 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 2-bromo-pyridine and 3-Trimethylstannylpyridin. This reaction needs reagent ((C₆H₅)₃P)₄Pd and solvent xylene at heating condition. The reaction time is 12 hours. The yield is 59%.

Uses: This chemical can iodomethane to prepare 1'-methyl-[2,3']bipyridylium; iodide. This reaction needs reagent ethanol.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cc(c1ncccc1)ccc2
(2)InChI: InChI=1/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H
(3)InChIKey: VEKIYFGCEAJDDT-UHFFFAOYAF

The toxicity data is as follows: