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| CAS No.: | 499796-71-3 |
|---|---|
| Name: | 2-Pyridinecarboxamide,5-fluoro-(9CI) |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H5FN2O |
| Molecular Weight: | 140.117 |
| Synonyms: | 2-Pyridinecarboxamide,5-fluoro-(9CI);5-fluoropicolinaMide;5-Fluoro-2-pyridinecarboxaMide;2-PyridinecarboxaMide, 5-fluoro |
| EINECS: | 201-525-2 |
| Density: | 1.327 g/cm3 |
| Boiling Point: | 256.7 °C at 760 mmHg |
| Flash Point: | 109 °C |
| PSA: | 55.98000 |
| LogP: | 1.01990 |
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Specification
The 2-Pyridinecarboxamide,5-fluoro-(9CI) is an organic compound with the formula C6H5FN2O. The systematic name of this chemical is 5-Fluoropyridine-3-carboxamide. With the CAS registry number 499796-71-3, it is also named as 3-Pyridinecarboxamide, 5-fluoro-. The product's categories are Amide; Pyridine. Besides, its molecular weight is 140.1151.
The physical properties of 2-Pyridinecarboxamide,5-fluoro-(9CI) are: (1)ACD/LogP: 0.05; (2)ACD/LogD (pH 5.5): 0.05; (3)ACD/LogD (pH 7.4): 0.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.35; (7)ACD/KOC (pH 7.4): 25.35; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 33.2 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 33.26 cm3; (14)Molar Volume: 105.5 cm3; (15)Polarizability: 13.18×10-24 cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.327 g/cm3; (18)Flash Point: 109 °C; (19)Enthalpy of Vaporization: 49.42 kJ/mol; (20)Boiling Point: 256.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0152 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cncc(F)c1)N
(2)InChI: InChI=1/C6H5FN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
(3)InChIKey: GCDSJMZGWCQCRU-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H5FN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
(5)Std. InChIKey: GCDSJMZGWCQCRU-UHFFFAOYSA-N