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2(1H)-Pyridinone,3-amino-5-nitro-

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Name

2(1H)-Pyridinone,3-amino-5-nitro-

EINECS N/A
CAS No. 5667-38-9 Density 1.38g/cm3
PSA 104.96000 LogP 1.38200
Solubility N/A Melting Point N/A
Formula C5H5N3O3 Boiling Point 306.6 °C at 760 mmHg
Molecular Weight 155.113 Flash Point 139.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5667-38-9 (2-Hydroxy-3-Amino-5-Nitropyridine) Hazard Symbols N/A
Synonyms

2-Pyridinol,3-amino-5-nitro- (7CI,8CI);3-Amino-5-nitro-2-pyridone;

Article Data 4

2(1H)-Pyridinone,3-amino-5-nitro- Specification

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

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