This chemical is called 3-Pyridinol, 6-bromo-2-fluoro-, and its systematic name is 6-Bromo-2-fluoropyridin-3-ol. With the molecular formula of C5H3BrFNO, its CAS registry number of this chemical is 850142-72-2.
Other characteristics of the 3-Pyridinol, 6-bromo-2-fluoro- can be summarised as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 16.39; (6)ACD/BCF (pH 7.4): 1.93; (7)ACD/KOC (pH 5.5): 250.37; (8)ACD/KOC (pH 7.4): 29.4; (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: 1.582; (14)Molar Refractivity: 33.9 cm3; (15)Molar Volume: 101.4 cm3; (16)Polarizability: 13.44×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.891 g/cm3; (19)Flash Point: 168.5 °C; (20)Enthalpy of Vaporization: 62.38 kJ/mol; (21)Boiling Point: 355 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(nc(c1O)F)Br
2.InChI: InChI=1/C5H3BrFNO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H
3.InChIKey: UWFUYQNHOZTXSF-UHFFFAOYAA
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