2-CHLORO-3-FLUORO-4-NITROPYRIDINE N-OXIDE

The 2-Chloro-3-fluoro-4-nitropyridine N-oxide, with the CAS registry number 101664-56-6, is also known as Pyridine, 2-chloro-3-fluoro-4-nitro-, 1-oxide. It belongs to the product category of Pyridine. This chemical's molecular formula is C₅H₂ClFN₂O₃ and molecular weight is 192.53. Its IUPAC name and systematic name are the same which is called 2-chloro-3-fluoro-4-nitro-1-oxidopyridin-1-ium.

Physical properties about 2-Chloro-3-fluoro-4-nitropyridine N-oxide are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.066; (4)ACD/LogD (pH 7.4): 0.066; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.887; (8)ACD/KOC (pH 7.4): 25.887; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 37.974 cm³; (14)Molar Volume: 110.149 cm³; (15)Surface Tension: 60.24 dyne/cm; (16)Density: 1.748 g/cm³; (17)Melting Point: 176-178 °C; (18)Flash Point: 213.106 °C; (19)Enthalpy of Vaporization: 65.75 kJ/mol; (20)Boiling Point: 428.758 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. Please do not breathe its dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C[N+](=C(C(=C1[N+](=O)[O-])F)Cl)[O-]
(2)InChI: InChI=1S/C5H2ClFN2O3/c6-5-4(7)3(9(11)12)1-2-8(5)10/h1-2H
(3)InChIKey: IQKSCEDCDQGAAO-UHFFFAOYSA-N