2-Pyrazinecarboxamide,6-fluoro-3,4-dihydro-3-oxo- (259793-96-9)

The 6-Fluoro-3-hydroxypyrazine-2-carboxamide, with the CAS registry number 259793-96-9, is also known as 2-Pyrazinecarboxamide, 6-fluoro-3-hydroxy-. It belongs to the product categories of Amide; Halide. This chemical's molecular formula is C₅H₄FN₃O₂ and formula weight is 157.10. What's more, both its IUPAC name and systematic name are the same which is called 5-Fluoro-2-oxo-1H-pyrazine-3-carboxamide.

Physical properties about this chemical are: (1)ACD/LogP: -1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/BCF (pH 5.5): 1.41; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 38.74; (7)ACD/KOC (pH 7.4): 1.29; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 52.98 Å²; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 32.63 cm³; (14)Molar Volume: 88 cm³; (15)Surface Tension: 65.6 dyne/cm; (16)Density: 1.78 g/cm³; (17)Flash Point: 288 °C; (18)Enthalpy of Vaporization: 86.43 kJ/mol; (19)Boiling Point: 552.6 °C at 760 mmHg; (20)Vapour Pressure: 8.06E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=C(C(=O)N1)C(=O)N)F
(2)InChI: InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
(3)InChIKey: ZCGNOVWYSGBHAU-UHFFFAOYSA-N