5-Bromo-2-chloronicotinamide

Base Information

• Chemical Name: 5-Bromo-2-chloronicotinamide
• CAS No.: 75291-85-9
• Molecular Formula: C6H4BrClN2O
• Molecular Weight: 235.47
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20504939
• Wikidata: Q72453125
• Mol file: 75291-85-9.mol

Synonyms:5-BROMO-2-CHLORONICOTINAMIDE;75291-85-9;5-bromo-2-chloropyridine-3-carboxamide;MFCD13176452;5-Bromo-2-chloro-nicotinamide;SCHEMBL4492180;AMY6276;DTXSID20504939;NFUOTGWWIKJNQL-UHFFFAOYSA-N;AKOS005662894;FF-0711;SY031233;CS-0149983;FT-0683872;O11363;A865710

Chemical Property of 5-Bromo-2-chloronicotinamide

Chemical Property:

• Melting Point: 187-188℃ (ethanol water )
• Boiling Point: 299.7±40.0 °C(Predicted)
• PKA: 13.57±0.50(Predicted)
• PSA: 55.98000
• Density: 1.818±0.06 g/cm3(Predicted)
• LogP: 2.29670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.91955
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-chloronicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1C(=O)N)Cl)Br

Technology Process of 5-Bromo-2-chloronicotinamide

There total 3 articles about 5-Bromo-2-chloronicotinamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

ammonia (7664-41-7) + 5-bromo-2-chloronicotinic acid (29241-65-4) → 5-bromo-2-chloronicotinamide (75291-85-9)

Guidance literature:

5-bromo-2-chloronicotinic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 3h;

ammonia; In methanol; at -10 - 20 ℃; for 18h;

Reference yield: 76.6%

5-bromo-2-chloronicotinic acid (29241-65-4) → 5-bromo-2-chloronicotinamide (75291-85-9)

Guidance literature:

5-bromo-2-chloronicotinic acid; With oxalyl dichloride; In dichloromethane; at 20 ℃; for 2h;

With ammonia; In tetrahydrofuran; dichloromethane; at 20 ℃; for 12h;

Reference yield:

5-bromo-2-chloro-pyridine-3-carbonyl chloride (78686-86-9) → 5-bromo-2-chloronicotinamide (75291-85-9)

Guidance literature:

With ammonia; In methanol; acetonitrile; at 20 ℃; for 16h;

upstream raw materials:

5-bromo-2-chloro-pyridine-3-carbonyl chloride

ammonia

5-bromo-2-chloronicotinic acid