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The Pyridine,2,6-dibromo-4-nitro-, with the CAS registry number 175422-04-5, has the systematic name and IUPAC name of 2,6-dibromo-4-nitropyridine. It belongs to the product category of Pyridines. And the molecular formula of the chemical is C5H2Br2N2O2.
The characteristics of Pyridine,2,6-dibromo-4-nitro- are as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.106; (4)ACD/LogD (pH 7.4): 2.106; (5)ACD/BCF (pH 5.5): 23.471; (6)ACD/BCF (pH 7.4): 23.471; (7)ACD/KOC (pH 5.5): 333.156; (8)ACD/KOC (pH 7.4): 333.156; (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: 1.65; (14)Molar Refractivity: 46.27 cm3; (15)Molar Volume: 126.868 cm3; (16)Polarizability: 18.343×10-24cm3; (17)Surface Tension: 63.331 dyne/cm; (18)Density: 2.222 g/cm3; (19)Flash Point: 153.389 °C; (20)Enthalpy of Vaporization: 54.983 kJ/mol; (21)Boiling Point: 330.018 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(cc(nc1Br)Br)N(=O)=O
(2)InChI: InChI=1/C5H2Br2N2O2/c6-4-1-3(9(10)11)2-5(7)8-4/h1-2H
(3)InChIKey: XIPATZUHJFQGQC-UHFFFAOYAY