2-Pyridinamine,N-methyl-5-nitro- (4093-89-4)

The 2-Methylamino-5-nitropyridine with the cas number 4093-89-4 is also called 2-Pyridinamine,N-methyl-5-nitro-. Both the systematic name and IUPAC name are N-methyl-5-nitropyridin-2-amine. Its molecular formula is C₆H₇N₃O₂. The product's category is CHIRAL CHEMICALS.

The properties of the chemical are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 10.06; (6)ACD/BCF (pH 7.4): 10.09; (7)ACD/KOC (pH 5.5): 181.45; (8)ACD/KOC (pH 7.4): 182.05; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.95 ?2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 40.49 cm3; (15)Molar Volume: 113.9 cm3; (16)Polarizability: 16.05 10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Enthalpy of Vaporization: 54.09 kJ/mol; (19)Vapour Pressure: 0.00109 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 2-chloro-5-nitro-pyridine and methylamine. This reaction needs reagent Et₃N  and solvent ethanol at Ambient temperature

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Uses: This chemical can prepare methyl-(5-nitro-1-oxy-pyridin-2-yl)-amine. This reaction needs reagent MCPBA and solvent CHCl₃ at Ambient temperature. The reaction time is 3 days. The yield is 52%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnc(NC)cc1
(2)InChI: InChI=1/C6H7N3O2/c1-7-6-3-2-5(4-8-6)9(10)11/h2-4H,1H3,(H,7,8)
(3)InChIKey: QCSKSRVVPACJEC-UHFFFAOYAQ