2-(4-METHOXYPHENYL)-5-NITROPYRIDINE

The Pyridine,2-(4-methoxyphenyl)-5-nitro-, with CAS registry number 131941-25-8, has the systematic name of 2-(4-methoxyphenyl)-5-nitropyridine. Besides this, it is also called 2-(4-methoxy-phenyl)-5-nitro-pyridine. And the chemical formula of this chemical is C₁₂H₁₀N₂O₃.

Physical properties of Pyridine,2-(4-methoxyphenyl)-5-nitro-: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.28; (6)ACD/BCF (pH 7.4): 26.28; (7)ACD/KOC (pH 5.5): 361.18; (8)ACD/KOC (pH 7.4): 361.2; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.94 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 62.16 cm³; (15)Molar Volume: 183.7 cm³; (16)Polarizability: 24.64×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.252 g/cm³; (19)Flash Point: 183.4 °C; (20)Enthalpy of Vaporization: 60.32 kJ/mol; (21)Boiling Point: 379.7 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methyl-3,5-dinitro-1H-pyridin-2-one and 1-(4-methoxy-phenyl)-ethanone. This reaction will need reagent NH₃ and solvent methanol. The reaction time is 3 hour(s) with reaction temperature of 120 ℃. The yield is about 64%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cnc(c1ccc(OC)cc1)cc2
(2)InChI: InChI=1/C12H10N2O3/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
(3)InChIKey: AQFGZIXPQOUSHT-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H10N2O3/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
(5)Std. InChIKey: AQFGZIXPQOUSHT-UHFFFAOYSA-N