The 3-Bromo-2-chloro-5-nitropyridine, with the CAS registry number 5470-17-7, is also known as Pyridine, 3-bromo-2-chloro-5-nitro. It belongs to the product categories of Blocks; Bromides; Nitro Compounds; Pyridines; Pyridine; Pyridine Series; Boronic Acid. This chemical's molecular formula is C5H2BrClN2O2 and molecular weight is 237.44. What's more, its IUPAC name is the same with its product name. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Bromo-2-chloro-5-nitropyridine are: (1)ACD/LogP: 2.174; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.45; (6)ACD/BCF (pH 7.4): 26.45; (7)ACD/KOC (pH 5.5): 362.88; (8)ACD/KOC (pH 7.4): 362.88; (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: 43.475 cm3; (15)Molar Volume: 122.634 cm3; (16)Polarizability: 17.235×10-24 cm3; (17)Surface Tension: 61.39 dyne/cm; (18)Density: 1.936 g/cm3; (19)Flash Point: 131.507 °C; (20)Enthalpy of Vaporization: 51.207 kJ/mol; (21)Boiling Point: 293.835 °C at 760 mmHg; (22)Vapour Pressure: 0.0030 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc([N+]([O-])=O)cnc1Cl
(2) InChI: InChI=1S/C5H2BrClN2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H
(3) InChIKey: PTTQIUHVDDBART-UHFFFAOYSA-N
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