2-HYDROXY-3,5-DINITROPYRIDINE

1.Introduction of 2-Hydroxy-3,5-dinitropyridine

The 2-Hydroxy-3,5-dinitropyridine, with the CAS registry number 2980-33-8, is also known as 3,5-Dinitro-2(1H)-pyridinone. It belongs to the product categories of Blocks; NitroCompounds; Pyridines; Pyridine; Heterocyclic Compounds; C5; Heterocyclic Building Blocks. This chemical's molecular formula is C₅H₃N₃O₅ and molecular weight is 185.09. What's more, its IUPAC name is called 3,5-Dinitro-1H-pyridin-2-one. It should be stored in a cool, dry and well-ventilated place.

2.Physical properties of 2-Hydroxy-3,5-dinitropyridine

(1)ACD/LogP: 0.834; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 124.76 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 39.317 cm³; (15)Molar Volume: 104.77 cm³; (16)Polarizability: 15.586×10^-24cm³; (17)Surface Tension: 95.361 dyne/cm; (18)Density: 1.767 g/cm³; (19)Flash Point: 195.159 °C; (20)Enthalpy of Vaporization: 67.509 kJ/mol; (21)Boiling Point: 399.083 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

3. Preparation of 2-Hydroxy-3,5-dinitropyridine

2-Hydroxy-3,5-dinitropyridine can be prepared by 3,5-diiodo-pyridin-2-ol. The reaction occurs with reagent nitric acid and other condition of heating for 6 hours. The yield is 75 %.

4.Safety information of 2-Hydroxy-3,5-dinitropyridine

This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

5.Structure descriptors of 2-Hydroxy-3,5-dinitropyridine

(1) SMILES: O=[N+]([O-])\C1=C\C(=C/NC1=O)[N+]([O-])=O
(2) InChI: InChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2H,(H,6,9)
(3) InChIKey: KSZZJOXNRQKULB-UHFFFAOYSA-N