The 3-Bromo-2-fluoro-5-iodopyridine, with the CAS registry number 697300-72-4, is also known as Pyridine, 3-bromo-2-fluoro-5-iodo-. This chemical's molecular formula is C5H2BrFIN and molecular weight is 301.8829532. What's more, its IUPAC name is 3-Bromo-2-fluoro-5-iodopyridine.
Physical properties about 3-Bromo-2-fluoro-5-iodopyridine are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.68; (6)ACD/BCF (pH 7.4): 76.68; (7)ACD/KOC (pH 5.5): 777.46; (8)ACD/KOC (pH 7.4): 777.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 44.93 cm3; (15)Molar Volume: 125.1 cm3; (16)Polarizability: 17.81×10-24 cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 2.412 g/cm3; (19)Flash Point: 116.1 °C; (20)Enthalpy of Vaporization: 48.61 kJ/mol; (21)Boiling Point: 268.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0127 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cnc(c1Br)F)I
(2) InChI: InChI=1/C5H2BrFIN/c6-4-1-3(8)2-9-5(4)7/h1-2H
(3) InChIKey: MLOIGFZNGAEEDT-UHFFFAOYAJ
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