4-HYDROXY-3-NITROPYRIDINE N-OXIDE

The 4-Pyridinol, 3-nitro-,1-oxide, with CAS registry number 31872-57-8, has the systematic name of 3-nitropyridin-4-ol 1-oxide. Besides this, it is also called 4-Hydroxy-3-nitropyridine N-oxide. Its molecular weight is 156.09. And the chemical formula of this chemical is C₅H₄N₂O₄.

Physical properties of 4-Pyridinol, 3-nitro-,1-oxide: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.38; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 91.51 Å²; (10)Index of Refraction: 1.641; (11)Molar Refractivity: 34.35 cm³; (12)Molar Volume: 95.1 cm³; (13)Polarizability: 13.61×10^-24cm³; (14)Surface Tension: 78.8 dyne/cm; (15)Density: 1.64 g/cm³; (16)Flash Point: 203.1 °C; (17)Enthalpy of Vaporization: 69.06 kJ/mol; (18)Boiling Point: 412.2 °C at 760 mmHg; (19)Vapour Pressure: 2.21E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Pyridinol, 3-nitro-,1-oxide irritates to eyes, respiratory system and skin. And this chemical is toxic by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc[n+]([O-])cc1[N+](=O)[O-]
(2)InChI: InChI=1/C5H4N2O4/c8-5-1-2-6(9)3-4(5)7(10)11/h1-3,8H
(3)InChIKey: GFWANJBZRUUAPA-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H4N2O4/c8-5-1-2-6(9)3-4(5)7(10)11/h1-3,8H
(5)Std. InChIKey: GFWANJBZRUUAPA-UHFFFAOYSA-N