3-Iodo-5-nitro-2(1H)-pyridinone
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3-Iodo-5-nitro-2(1H)-pyridinone
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CAS No:
25391-58-6
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Formula:
C5H3IN2O3
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Chemical Name:
3-Iodo-5-nitro-2(1H)-pyridinone
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Synonyms:
2(1H)-Pyridinone,3-iodo-5-nitro-;2-Pyridinol,3-iodo-5-nitro-;3-Iodo-5-nitro-2(1H)-pyridinone;3-Iodo-5-nitropyridin-2-ol;2-Hydroxy-3-iodo-5-nitropyridine;3-Iodo-5-nitro-1H-pyridin-2-one;3-Iodo-5-nitro-1,2-dihydropyridin-2-one
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CAS No:
Safety Information
NONH for all modes of transport
3
22-41
26-39
Xn
P280-P305 + P351 + P338
H302-H318
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Iodo-5-nitro-2(1H)-pyridinone Use and Manufacturing
Synthesis of 3-Iodo-5-nitro-pyridin-2-ol (CXXI): To a mixture of 2-Hydroxy-5-nitro pyridine (14 g, 99.9 mmol) and potassium carbonate (13.8 g, 99.9 mmol) in N, N- dimethylformamide (100 mL) was added iodine (25.3 g, 99.7 mmol) in a portionwise fashion at room temperature. The resulting reaction mixture was heated at 85 °C for 15 h, before 5 being allowed to cool to room temperature. The progress of the reaction was monitored by TLC. The reaction mixture was diluted with water (150 mL) and then extracted with ethyl acetate (75 mL x 3). The combined organic extracts were washed with brine (150 mL x 3), dried over anhydrous sodium sulfate and concentrated in vacuo. The remaining solid residue was washed with n-hexanes (50 mL x 2) and allowed to dry in a stream of air to afford CXXI 10 (14 g, 53percent) as a brown solid, which was used without further purification.
Computed Properties
Molecular Weight:265.99
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:265.91884
Monoisotopic Mass:265.91884
Topological Polar Surface Area:74.9
Heavy Atom Count:11
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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