3-Pyridinecarboxylicacid, 4-nitro-, 1-oxide (1078-05-3)

The 4-Nitronicotinic acid N-oxide with the CAS number 1078-05-3 is also called 3-Pyridinecarboxylicacid, 4-nitro-, 1-oxide. The IUPAC name is 4-nitro-1-oxidopyridin-1-ium-3-carboxylic acid. Its molecular formula is C₆H₄N₂O₅. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-Nitronicotinic acid N-oxide are: (1)ACD/LogP: -0.94; (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: 7; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 96.23 Å²; (11)Index of Refraction: 1.653; (12)Molar Refractivity: 39.81 cm³; (13)Molar Volume: 108.6 cm³; (14)Polarizability: 15.78×10^-24cm³; (15)Surface Tension: 82.8 dyne/cm; (16)Enthalpy of Vaporization: 87.81 kJ/mol; (17)Vapour Pressure: 4.33×10^-13 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is toxic by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Secondly, you should wear suitable protective clothing, gloves and eye/face protection. Thirdly in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally 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: O=C(O)c1c([N+]([O-])=O)cc[n+]([O-])c1
(2)InChI: InChI=1/C6H4N2O5/c9-6(10)4-3-7(11)2-1-5(4)8(12)13/h1-3H,(H,9,10)
(3)InChIKey: OYLXIYDCLHUDQV-UHFFFAOYAM