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101654-28-8

Basic Information
CAS No.: 101654-28-8
Name: 2-NITRO-4-PYRIDINOL
Molecular Structure:
Molecular Structure of 101654-28-8 (2-NITRO-4-PYRIDINOL)
Formula: C5H4N2O3
Molecular Weight: 140.10
Synonyms: 2-Nitropyridin-4-ol;
Density: 1.508 g/cm3
Boiling Point: 502.315 °C at 760 mmHg
Flash Point: 257.591 °C
PSA: 78.94000
LogP: 1.21860
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Specification

The 2-Nitro-4-pyridinol is an organic compound with the formula C5H4N2O3. The IUPAC name of this chemical is 2-nitro-1H-pyridin-4-one. With the CAS registry number 101654-28-8, it is also named as 4-pyridinol, 2-nitro-. The product's categories are Pyridine; Nitro; Pyridines.

Physical properties about 2-Nitro-4-pyridinol are: (1)ACD/LogP: -1.48; (2)ACD/LogD (pH 5.5): -1.59; (3)ACD/LogD (pH 7.4): -2.77; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.9; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 66.13 Å2; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 32.54 cm3; (14)Molar Volume: 96.7 cm3; (15)Polarizability: 12.9×10-24cm3; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.44 g/cm3; (18)Flash Point: 108.1 °C; (19)Enthalpy of Vaporization: 49.25 kJ/mol; (20)Boiling Point: 255.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0166 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C=C/NC(/[N+](=O)[O-])=C/1
(2)InChI: InChI=1/C5H4N2O3/c8-4-1-2-6-5(3-4)7(9)10/h1-3H,(H,6,8)
(3)InChIKey: NJTUZNXKDOUPHP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H4N2O3/c8-4-1-2-6-5(3-4)7(9)10/h1-3H,(H,6,8)
(5)Std. InChIKey: NJTUZNXKDOUPHP-UHFFFAOYSA-N