Pyridine,2-bromo-3-methoxy-6-nitro- (76066-07-4)

The 2-Bromo-3-methoxy-6-nitropyridine with cas registry number of 76066-07-4, belongs to the following product categories: (1)blocks; (2)Bromides; (3)NitroCompounds; (4)Pyridines; (5)Heterocyclic Compounds; (6)Heterocycles. It has the systematic name of 2-bromo-3-methoxy-6-nitropyridine.

Physical properties about this chemical are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 145; (8)ACD/KOC (pH 7.4): 145; (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)Enthalpy of Vaporization: 58.656 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: COc1ccc(nc1Br)N(=O)=O;
(2)InChI: InChI=1/C6H5BrN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3;
(3)InChIKey: ZKEAOLVGPKCNCT-UHFFFAOYAP;
(4)Std. InChI: InChI=1S/C6H5BrN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3;
(5)Std. InChIKey: ZKEAOLVGPKCNCT-UHFFFAOYSA-N