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CAS No.: | 59290-34-5 |
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Name: | 5-Nitropyridine-2-carboxamide |
Molecular Structure: | |
Formula: | C6H5N3O3 |
Molecular Weight: | 167.1222 |
Synonyms: | 5-nitropyridine-2-carboxamide |
Density: | 1.476 g/cm3 |
Melting Point: | 246-247 °C |
Boiling Point: | 397.8 °C at 760 mmHg |
Flash Point: | 194.4 °C |
PSA: | 101.80000 |
LogP: | 1.31220 |
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The 2-Pyridinecarboxamide, 5-nitro- is an organic compound with the formula C6H5N3O3. The systematic name of this chemical is 5-Nitropyridine-2-carboxamide. With the CAS registry number 59290-34-5, it is also named as Picolinamide, 5-nitro-. Besides, its molecular weight is 167.1222.
The physical properties of 2-Pyridinecarboxamide, 5-nitro- are: (1)ACD/LogP: 0.18; (2)ACD/LogD (pH 5.5): 0.18; (3)ACD/LogD (pH 7.4): 0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30; (7)ACD/KOC (pH 7.4): 30; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 79.02 Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 39.82 cm3; (14)Molar Volume: 113.1 cm3; (15)Polarizability: 15.78×10-24 cm3; (16)Surface Tension: 73.3 dyne/cm; (17)Density: 1.476 g/cm3; (18)Flash Point: 194.4 °C; (19)Enthalpy of Vaporization: 64.82 kJ/mol; (20)Boiling Point: 397.8 °C at 760 mmHg; (21)Vapour Pressure: 1.55E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ncc([N+]([O-])=O)cc1)N
(2)InChI: InChI=1/C6H5N3O3/c7-6(10)5-2-1-4(3-8-5)9(11)12/h1-3H,(H2,7,10)
(3)InChIKey: JGLGOTZFQGEALJ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H5N3O3/c7-6(10)5-2-1-4(3-8-5)9(11)12/h1-3H,(H2,7,10)
(5)Std. InChIKey: JGLGOTZFQGEALJ-UHFFFAOYSA-N