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99479-77-3

Basic Information
CAS No.: 99479-77-3
Name: 4-Amino-5-nitro-2-pyridinol
Molecular Structure:
Molecular Structure of 99479-77-3 (4-Amino-5-nitro-2-pyridinol)
Formula: C5H5N3O3
Molecular Weight: 155.11
Synonyms: 4-Amino-5-nitro-2(1H)-pyridinone;
Density: 1.54 g/cm3
Boiling Point: 265 °C at 760 mmHg
Flash Point: 114.1 °C
PSA: 104.96000
LogP: 1.38200
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  • 4-AMino-5-nitro-2-pyridinol

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Specification

This chemical is called 4-Amino-5-nitro-2-pyridinol, and it can also be named as 2-pyridinol, 4-amino-5-nitro-. With the molecular formula of C5H5N3O3, its molecular weight is 155.11. The CAS registry number of this chemical is 99479-77-3.

Other characteristics of the 4-Amino-5-nitro-2-pyridinol can be summarised as followings: (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): 6.92; (5)ACD/KOC (pH 7.4): 6.83; (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: 114.1 °C; (17)Enthalpy of Vaporization: 50.29 kJ/mol; (18)Boiling Point: 265 °C at 760 mmHg; (19)Vapour Pressure: 0.00941 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N/C/1=C/C(=O)N\C=C\1\N(=O)=O
2.InChI: InChI=1/C5H5N3O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H3,6,7,9)
3.InChIKey: ZPJIDQYWANWLCL-UHFFFAOYAC