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5-IODONICOTINIC ACID

5-IODONICOTINIC ACID structure

5-IODONICOTINIC ACID 

structure
  • CAS No:

    15366-65-1

  • Formula:

    C6H4INO2

  • Chemical Name:

    5-IODONICOTINIC ACID

  • Synonyms:

    5-IODONICOTINIC ACID;5-IODOPYRIDINE-3-CARBOXYLIC ACID;5-Iodo-3-pyridinecarboxylic acid

5-IODONICOTINIC ACID Basic Attributes

249.01

248.92900

DTXSID30165393

2933399090

Characteristics

50.2

1

2.123

224-225℃

376℃

181℃

1.677

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

5-iodonicotinic acid

5-IODONICOTINIC ACID Use and Manufacturing

M-iodonicotinic acid Thionyl chloride (0.53 mL) and DMF (3 drops) were added to (94.6 mg, 0.38 mmol) and stirred at room temperature for 17 hours. after that, The solution was concentrated to dryness. The THF (5.5 mL) is put there, 2- (5-Amino-2-methylanilino) -4- (3-pyridyl) pyrimidine (A) (70.2 mg, 0.32 mmol), DMAP (1.2 mg, 0.01 mmol) , N, N-Diisopropylethylamine (66 L, 0.38 mmol) was added and the mixture was stirred at room temperature for 2 hours. Water and ethyl acetate were added, and the mixture was washed with saturated aqueous sodium hydrogen carbonate solution, and the solvent was evaporated. The resulting residue was purified by silica gel column chromatography (chloroform: methanol = 10: 1) to obtain IMT-4 (111.2 mg, 0.22 mmol, 68%, pale yell ow solid).step 1-

Computed Properties

Molecular Weight:249.01
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:248.92868
Monoisotopic Mass:248.92868
Topological Polar Surface Area:50.2
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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