5-BROMO-2,3-DIHYDROXYPYRIDINE

The 2(1H)-Pyridinone, 5-bromo-3-hydroxy-, with the CAS registry number of 34206-49-0, is also known as 5-Bromo-2, 3-dihydroxypyridine and 5-Bromo-2, 3-pyridinediol. It belongs to the product categories of Pyridine; API Intermediates; Bromopyridines; Halopyridines. This chemical's molecular formula is C₅H₄BrNO₂ and molecular weight is 189.99. What's more, its systematic name is called 5-Bromopyridine-2, 3-diol.

Physical properties about 2(1H)-Pyridinone, 5-bromo-3-hydroxy- are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 73; (8)ACD/KOC (pH 7.4): 14; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.35 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 35.798 cm³; (15)Molar Volume: 95.702 cm³; (16)Surface Tension: 75.33 dyne/cm; (17)Density: 1.985 g/cm³; (18)Flash Point: 248.397 °C; (19)Enthalpy of Vaporization: 78.16 kJ/mol; (20)Boiling Point: 487.112 °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:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc(O)c(O)c1
(2) InChI: InChI=1/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
(3) InChIKey: KXBXUHWCODHRHK-UHFFFAOYAN