3-Pyridinecarboxylicacid, 2-methyl-5-nitro- (59290-81-2)

The 2-Methyl-5-nitronicotinic acid, with CAS registry number 59290-81-2, has the systematic name of 2-methyl-5-nitropyridine-3-carboxylic acid. Besides this, it is also called 3-pyridinecarboxylic acid, 2-methyl-5-nitro-. And the chemical formula of this chemical is C₇H₆N₂O₄.

Physical properties about this chemical are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 85.01 Å²; (11)Index of Refraction: 1.608; (12)Molar Refractivity: 42.64 cm³; (13)Molar Volume: 123.3 cm³; (14)Polarizability: 16.9×10^-24cm³; (15)Surface Tension: 70 dyne/cm; (16)Enthalpy of Vaporization: 65.09 kJ/mol; (17)Vapour Pressure: 3.94E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(cnc1C)[N+]([O-])=O
(2)InChI: InChI=1/C7H6N2O4/c1-4-6(7(10)11)2-5(3-8-4)9(12)13/h2-3H,1H3,(H,10,11)
(3)InChIKey: QGKUVJPQLXSHQZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H6N2O4/c1-4-6(7(10)11)2-5(3-8-4)9(12)13/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: QGKUVJPQLXSHQZ-UHFFFAOYSA-N