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CAS No.: | 5667-38-9 |
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Name: | 2-Hydroxy-3-Amino-5-Nitropyridine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H5N3O3 |
Molecular Weight: | 155.113 |
Synonyms: | 2-Pyridinol,3-amino-5-nitro- (7CI,8CI);3-Amino-5-nitro-2-pyridone; |
Density: | 1.38g/cm3 |
Boiling Point: | 306.6 °C at 760 mmHg |
Flash Point: | 139.3 °C |
PSA: | 104.96000 |
LogP: | 1.38200 |
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The 2(1H)-Pyridinone,3-amino-5-nitro-, with CAS registry number 5667-38-9, belongs to the following product category: Pyridine. It has the systematic name of 3-amino-5-nitropyridin-2(1H)-one. Besides this, it is also called 2-Hydroxy-3-Amino-5-Nitropyridine. And the chemical formula of this chemical is C5H5N3O3.
Physical properties of 2(1H)-Pyridinone,3-amino-5-nitro-: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.7; (5)ACD/KOC (pH 7.4): 2.56; (6)#H bond acceptors: 6; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 100.94 Å2; (10)Index of Refraction: 1.634; (11)Molar Refractivity: 35.94 cm3; (12)Molar Volume: 100.4 cm3; (13)Polarizability: 14.24×10-24cm3; (14)Surface Tension: 69.8 dyne/cm; (15)Density: 1.54 g/cm3; (16)Flash Point: 139.3 °C; (17)Enthalpy of Vaporization: 54.72 kJ/mol; (18)Boiling Point: 306.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000762 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N\C1=C\C(=C/NC1=O)[N+]([O-])=O
(2)InChI: InChI=1/C5H5N3O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,6H2,(H,7,9)
(3)InChIKey: WUMXEXOQVKMRQX-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H5N3O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,6H2,(H,7,9)
(5)Std. InChIKey: WUMXEXOQVKMRQX-UHFFFAOYSA-N