Pyridine,3-bromo-6-chloro-2-methyl-5-nitro- (186413-75-2)

The 3-Bromo-6-chloro-2-methyl-5-nitropyridine, with the CAS registry number 186413-75-2, is also known as 2-Chloro-3-nitro-5-bromo-6-picoline. It belongs to the product category of Pyridine. This chemical's molecular formula is C₆H₄BrClN₂O₂ and molecular weight is 251.46. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-6-chloro-2-methyl-5-nitropyridine.

Physical properties about 3-Bromo-6-chloro-2-methyl-5-nitropyridine are: (1) ACD/LogP: 2.47; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 30; (6) ACD/BCF (pH 7.4): 30; (7) ACD/KOC (pH 5.5): 402; (8) ACD/KOC (pH 7.4): 402; (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: 1.612; (14) Molar Refractivity: 48.3 cm³; (15) Molar Volume: 138.909 cm³; (16) Surface Tension: 56.543 dyne/cm; (17) Density: 1.81 g/cm³; (18) Flash Point: 139.052 °C; (19) Enthalpy of Vaporization: 52.499 kJ/mol; (20) Boiling Point: 306.311 °C at 760 mmHg; (21) Vapour Pressure: 0.001 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(Br)c(nc1Cl)C
(2) InChI: InChI=1/C6H4BrClN2O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3
(3) InChIKey: PVECCSKVOZZRPC-UHFFFAOYAK