The 5-Bromo-2-hydroxy-3-nitropyridine is an organic compound with the formula C5H3BrN2O3. The IUPAC name of this chemical is 5-bromo-3-nitro-1H-pyridin-2-one. With the CAS registry number 15862-34-7 and EINECS 239-989-0, it is also named as 5-Bromo-3-nitro-2-pyridinol. The product's categories are Blocks; Bromides; NitroCompounds; Pyridines; Pyridine Series; Nucleotides and Nucleosides; Bromopyridines; Halopyridines; Bases & Related Reagents; Nucleotides.
The other characteristics of 5-Bromo-2-hydroxy-3-nitropyridine can be summarized as: (1)ACD/LogP: -0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.34; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 40.04 cm3; (15)Molar Volume: 110.1 cm3; (16)Surface Tension: 65.7 dyne/cm; (17)Enthalpy of Vaporization: 53.65 kJ/mol; (18)Vapour Pressure: 0.00141 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 217.932705; (21)MonoIsotopic Mass: 217.932705; (22)Topological Polar Surface Area: 74.9; (23)Heavy Atom Count: 11; (24)Complexity: 276.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, but also irritating to eyes, respiratory system and skin. It also has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]([O-])\C1=C\C(\Br)=C/NC1=O
2. InChI:InChI=1/C5H3BrN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)
3. InChIKey:WXRLCVUDLFFTFF-UHFFFAOYAY
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