Pyridine,5-bromo-2-chloro-4-methyl-3-nitro- (884495-15-2)

The IUPAC name of 5-Bromo-2-chloro-4-methyl-3-nitropyridine is 5-Bromo-2-chloro-4-methyl-3-nitropyridine. With the CAS registry number 884495-15-2, it is also named as 2-Bromo-6-chloro-3-methyl-5-nitropyridine. The product is light yellow powder. In addition, its molecular formula is C₆H₄BrClN₂O₂ and its molecular weight is 251.46. 

The other characteristics of 5-Bromo-2-chloro-4-methyl-3-nitropyridine can be summarized as: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)H bond acceptors: 4; (6)H bond donors: 0; (7)Freely Rotating Bonds: 1; (8)Polar Surface Area: 58.71 Å²; (9)Index of Refraction: 1.612; (10)Molar Refractivity: 48.29 cm³; (11)Molar Volume: 138.9 cm³; (12)Polarizability: 19.14×10^-24cm³; (13)Surface Tension: 56.5 dyne/cm; (14)Density: 1.81 g/cm³; (15)Flash Point: 137.9 °C; (16)Enthalpy of Vaporization: 52.3 kJ/mol; (17)Boiling Point: 304.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00158 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1c(cnc(c1[N+](=O)[O-])Cl)Br
(2)InChI:InChI=1/C6H4BrClN2O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3
(3)InChIKey:BLJOCKNDWUTFEN-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C6H4BrClN2O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3
(5)Std. InChIKey:BLJOCKNDWUTFEN-UHFFFAOYSA-N