Pyridine, 2-(1-methylethyl)-5-nitro- (9CI)

The Pyridine, 2-(1-methylethyl)-5-nitro- (9Cl), with the CAS registry number 131941-21-4, is also known as 2-Isopropyl-5-nitropyridine. It belongs to the product categories of IsopropyL; Pyridines. This chemical's molecular formula is C₈H₁₀N₂O₂ and molecular weight is 166.18. What's more, its IUPAC name is 5-nitro-2-propan-2-ylpyridine.

Physical properties of Pyridine, 2-(1-methylethyl)-5-nitro- (9Cl) are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.042; (4)ACD/LogD (pH 7.4): 2.042; (5)ACD/BCF (pH 5.5): 20.995; (6)ACD/BCF (pH 7.4): 20.999; (7)ACD/KOC (pH 5.5): 307.582; (8)ACD/KOC (pH 7.4): 307.643; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 45.075 cm³; (15)Molar Volume: 144.571 cm³; (16)Polarizability: 17.869×10^-24cm³; (17)Surface Tension: 43.813 dyne/cm; (18)Density: 1.149 g/cm³; (19)Flash Point: 103.08 °C; (20)Enthalpy of Vaporization: 46.437 kJ/mol; (21)Boiling Point: 246.831 °C at 760 mmHg; (22)Vapour Pressure: 0.042 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methyl-3,5-dinitro-1H-pyridin-2-one and 3-methyl-butan-2-one at the temperature of 70°C. This reaction will need reagent NH₃ and solvent methanol with the reaction time of 3 hours. The yield is about 36%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1ccc(cn1)[N+](=O)[O-]
(2)Std. InChI: InChI=1S/C8H10N2O2/c1-6(2)8-4-3-7(5-9-8)10(11)12/h3-6H,1-2H3
(3)Std. InChIKey: NHGFJXPCQGXISU-UHFFFAOYSA-N