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| CAS No.: | 15128-08-2 |
|---|---|
| Name: | 2-Nitro-3-hydroxypyridine |
| Molecular Structure: | |
 |
|
| Formula: | C5H4N2O3 |
| Molecular Weight: | 140.10 |
| Synonyms: | 2-Nitro-3-hydroxypyridine |
| EINECS: | 239-191-2 |
| Density: | 1.507 g/cm3 |
| Melting Point: | 67-72℃ |
| Boiling Point: | 383.2 °C at 760 mmHg |
| Flash Point: | 185.6 °C |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 78.94000 |
| LogP: | 1.21860 |
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Specification
The 2-Nitro-3-hydroxypyridine, with the CAS registry number 15128-08-2, is also known as 3-Hydroxy-2-nitropyridine. This chemical's molecular formula is C5H4N2O3 and molecular weight is 140.1. Its IUPAC name is called 2-nitropyridin-3-ol.
Physical properties of 2-Nitro-3-hydroxypyridine: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -1.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.14; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 32.77 cm3; (14)Molar Volume: 92.9 cm3; (15)Surface Tension: 73.3 dyne/cm; (16)Density: 1.507 g/cm3; (17)Flash Point: 185.6 °C; (18)Enthalpy of Vaporization: 65.65 kJ/mol; (19)Boiling Point: 383.2 °C at 760 mmHg; (20)Vapour Pressure: 2.02E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(N=C1)[N+](=O)[O-])O
(2)InChI: InChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H
(3)InChIKey: QBPDSKPWYWIHGA-UHFFFAOYSA-N