2-BROMO-3-CHLORO-5-NITROPYRIDINE

The Pyridine,2-bromo-3-chloro-5-nitro-, with CAS registry number 22353-41-9, belongs to the following product categories: (1)Pyridine; (2)Boronic Acid; (3)Pyridines. It has the systematic name of 2-bromo-3-chloro-5-nitropyridine. And the chemical formula of this chemical is C₅H₂BrClN₂O₂.

Physical properties of Pyridine,2-bromo-3-chloro-5-nitro-: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.19; (6)ACD/BCF (pH 7.4): 21.19; (7)ACD/KOC (pH 5.5): 309.67; (8)ACD/KOC (pH 7.4): 309.67; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 43.47 cm³; (15)Molar Volume: 122.6 cm³; (16)Polarizability: 17.23×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Density: 1.936 g/cm³; (19)Flash Point: 130.7 °C; (20)Enthalpy of Vaporization: 51.07 kJ/mol; (21)Boiling Point: 292.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00319 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-5-nitro-pyridin-2-ol. This reaction will need reagents POBr₃, quinoline. The reaction time is 2 hour(s) with reaction temperature of 120 ℃. The yield is about 90%.

Uses of Pyridine,2-bromo-3-chloro-5-nitro-: it can be used to produce 6-bromo-5-chloro-pyridin-3-ylamine. This reaction will need reagents Fe, AcOH and solvent H₂O. The reaction time is 2 hour(s). The yield is about 81%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cnc1Br)N(=O)=O
(2)InChI: InChI=1/C5H2BrClN2O2/c6-5-4(7)1-3(2-8-5)9(10)11/h1-2H
(3)InChIKey: VDVNBTTZUJOHJZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H2BrClN2O2/c6-5-4(7)1-3(2-8-5)9(10)11/h1-2H
(5)Std. InChIKey: VDVNBTTZUJOHJZ-UHFFFAOYSA-N