The CAS registry number of 3-Pyridinol,5-bromo-2-iodo is 188057-49-0. This chemical's molecular formula is C5H3BrINO and molecular weight is 299.8919. What's more, its systematic name is called 5-Bromo-2-iodopyridin-3-ol. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Pyridinol,5-bromo-2-iodo- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 103; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 876; (8)ACD/KOC (pH 7.4): 39; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 46.823 cm3; (15)Molar Volume: 119.345 cm3; (16)Surface Tension: 67.862 dyne/cm; (17)Density: 2.513 g/cm3; (18)Flash Point: 150.41 °C; (19)Enthalpy of Vaporization: 58.972 kJ/mol; (20)Boiling Point: 325.09 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc(I)c(O)c1
(2) InChI: InChI=1/C5H3BrINO/c6-3-1-4(9)5(7)8-2-3/h1-2,9H
(3) InChIKey: TYKCQFLONIEXBQ-UHFFFAOYAF
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