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| CAS No.: | 850663-54-6 |
|---|---|
| Name: | 4-Chloro-5-nitro-2-hydroxypyridine |
| Molecular Structure: | |
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| Formula: | C5H3ClN2O3 |
| Molecular Weight: | 174.543 |
| Synonyms: | 4-Chloro-5-nitropyridin-2-ol;4-Chloro-5-nitro-2-hydroxypyridine;4-Chloro-5-nitropyridin-2(1H)-one; |
| Density: | 1.664 g/cm3 |
| Boiling Point: | 430.9 °C at 760 mmHg |
| Flash Point: | 214.4 °C |
| PSA: | 78.94000 |
| LogP: | 1.87200 |
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Specification
The systematic name of 2(1H)-Pyridinone, 4-chloro-5-nitro- is 4-chloro-5-nitro-pyridin-2-ol. With the CAS registry number 850663-54-6, it is also named as 4-Chloro-5-nitro-2-hydroxypyridine. In addition, its molecular formula is C5H3ClN2O3 and its molecular weight is 174.5419.
The other characteristics of 2(1H)-Pyridinone, 4-chloro-5-nitro- can be summarized as: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 78.94 Å2; (7)Index of Refraction: 1.637; (8)Molar Refractivity: 37.66 cm3; (9)Molar Volume: 104.8 cm3; (10)Polarizability: 14.93×10-24cm3; (11)Surface Tension: 74.1 dyne/cm; (12)Density: 1.664 g/cm3; (13)Flash Point: 214.4 °C; (14)Enthalpy of Vaporization: 71.3 kJ/mol; (15)Boiling Point: 430.9 °C at 760 mmHg; (16)Vapour Pressure: 4.97E-08 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1c(c(cnc1O)[N+](=O)[O-])Cl
(2)InChI: InChI=1/C5H3ClN2O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H,7,9)
(3)InChIKey: VZBXTOUZMQUTIQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H3ClN2O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H,7,9)
(5)Std. InChIKey: VZBXTOUZMQUTIQ-UHFFFAOYSA-N