Pyridine,5-bromo-2-methoxy-3-nitro- (152684-30-5)

The 5-Bromo-2-methoxy-3-nitropyridine, with the CAS registry number 152684-30-5, is also called 2-Methoxy-3-Nitro-5-Bromopyridine. It belongs to the following product categories: Blocks; Bromides; Pyridines; Pyridine; Boronic Acid. And the molecular formula of the chemical is C₆H₅BrN₂O₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.257; (4)ACD/LogD (pH 7.4): 2.257; (5)ACD/BCF (pH 5.5): 30.573; (6)ACD/BCF (pH 7.4): 30.573; (7)ACD/KOC (pH 5.5): 402.549; (8)ACD/KOC (pH 7.4): 402.549; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.94 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 45.258 cm³; (15)Molar Volume: 134.686 cm³; (16)Polarizability: 17.942×10^-24cm³; (17)Surface Tension: 53.389 dyne/cm; (18)Density: 1.73 g/cm³; (19)Flash Point: 124.339 °C; (20)Enthalpy of Vaporization: 49.99 kJ/mol; (21)Boiling Point: 281.982 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1c(cc(cn1)Br)N(=O)=O
(2)InChI: InChI=1/C6H5BrN2O3/c1-12-6-5(9(10)11)2-4(7)3-8-6/h2-3H,1H3
(3)InChIKey: YRVHFGOAEVWBNS-UHFFFAOYAQ