Cas no 800402-12-4 (2-chloro-5-iodopyridin-4-amine)

2-chloro-5-iodopyridin-4-amine structure
800402-12-4 structure
Product Name:2-chloro-5-iodopyridin-4-amine
CAS No:800402-12-4
MF:C5H4ClIN2
MW:254.45613193512
MDL:MFCD09834661
CID:823710
PubChem ID:45480366
Update Time:2024-10-27

2-chloro-5-iodopyridin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-5-iodo-4-pyridinamine
    • 4-Amino-2-chloro-5-iodopyridine
    • 2-CHLORO-5-IODOPYRIDIN-4-AMINE
    • 2-Chloro-5-iodo-pyridin-4-ylamine
    • 2-CHLORO-5-IODO-PYRIDINE-4-YLAMINE
    • 4-Pyridinamine, 2-chloro-5-iodo-
    • 2-chloro-5-iodo-4-pyridylamine
    • 2-chloro-4-amino-5-iodopyridine
    • 2-Chloro-5-iodo-4-pyridineamine
    • DEJUUKULVAIMNF-UHFFFAOYSA-N
    • 2-chloro-5-iodo-pyridin-4-amine
    • 2-chloro-5-iodopyridin-4-ylamine
    • BCP18368
    • 2-Chloro-5-iodo-4-pyridinamine (ACI)
    • PB25202
    • EN300-100823
    • AKOS005073252
    • 800402-12-4
    • BB 0260242
    • CS-W000564
    • AM20061516
    • 2-chloro-5-iodo-pyridin-4-yl-amine
    • DTXSID20670325
    • J-514321
    • LD-0208
    • SCHEMBL441657
    • MFCD09834661
    • SY039098
    • 2-CHLORO-5-IODO-4-AMINOPYRIDINE
    • FT-0660137
    • A864758
    • Cyclopropylmethanesulfonyl chloride
    • STL556276
    • BBL102473
    • DB-000515
    • 2-chloro-5-iodopyridin-4-amine
    • MDL: MFCD09834661
    • Inchi: 1S/C5H4ClIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
    • InChI Key: DEJUUKULVAIMNF-UHFFFAOYSA-N
    • SMILES: ClC1C=C(N)C(I)=CN=1

Computed Properties

  • Exact Mass: 253.91100
  • Monoisotopic Mass: 253.91077g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.9
  • XLogP3: 1.8

Experimental Properties

  • Melting Point: 126-127°
  • PSA: 38.91000
  • LogP: 2.50300
  • Sensitiveness: Light Sensitive

2-chloro-5-iodopyridin-4-amine Security Information

  • Hazard Category Code: 22-41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-chloro-5-iodopyridin-4-amine Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-chloro-5-iodopyridin-4-amine Pricemore >>

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2-chloro-5-iodopyridin-4-amine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium acetate ,  Iodine chloride Solvents: Water ;  4 d, pH 5.5, 75 °C
1.2 Reagents: Sodium carbonate Solvents: Water ;  pH 7 - 8, rt
1.3 Reagents: Sodium thiosulfate Solvents: Water ;  rt
Reference
Palladium-Catalyzed Synthesis of 2,3-Disubstituted 5-Azaindoles via Heteroannulation Reaction and of 2-Substituted 5-Azaindoles through Domino Sila-Sonogashira/5-Endo Cyclization
Livecchi, Marion; Calvet, Geraldine; Schmidt, Frederic, Journal of Organic Chemistry, 2012, 77(11), 5006-5016

Production Method 2

Reaction Conditions
1.1 Reagents: N-Iodosuccinimide Solvents: Acetonitrile ;  overnight, 82 °C
Reference
The Synthesis of 3,3-Dimethyl Aza- and Diazaindolines Using a Palladium-Catalysed Intramolecular Reductive Cyclisation
Day, James E. H.; Frederickson, Martyn; Hogg, Colin; Johnson, Christopher N.; Meek, Alistair; et al, Synlett, 2015, 26(18), 2570-2574

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium acetate ,  Iodine chloride Solvents: Acetic acid ;  60 - 70 °C
Reference
Potent 4-amino-5-azaindole factor VIIa inhibitors
Hu, Huiyong; Kolesnikov, Aleksandr; Riggs, Jennifer R.; Wesson, Kieron E.; Stephens, Robin; et al, Bioorganic & Medicinal Chemistry Letters, 2006, 16(17), 4567-4570

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium acetate ,  Iodine chloride Solvents: Acetic acid ;  4 h, rt → 70 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
Reference
Synthesis, crystal structure, molecular docking and antimicrobial evaluation of new pyrrolo[3,2-c]pyridine derivatives
Jose, Gilish; Suresha Kumara, T. H.; Nagendrappa, Gopalpur; Sowmya, H. B. V.; Jasinski, Jerry P.; et al, Journal of Molecular Structure, 2015, 1081, 85-95

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium acetate ,  Iodine chloride Solvents: Acetic acid ;  4 h, rt → 70 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
Reference
New polyfunctional imidazo[4,5-C]pyridine motifs: Synthesis, crystal studies, docking studies and antimicrobial evaluation
Jose, Gilish; Suresha Kumara, T. H.; Nagendrappa, Gopalpur; Sowmya, H. B. V.; Jasinski, Jerry P.; et al, European Journal of Medicinal Chemistry, 2014, 77, 288-297

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium acetate ,  Iodine chloride Solvents: Acetic acid ;  4 h, 70 °C
Reference
Synthesis, molecular docking, antimycobacterial and antimicrobial evaluation of new pyrrolo[3,2-c]pyridine Mannich bases
Jose, Gilish ; Suresha Kumara, Tholappanavara H.; Sowmya, Haliwana B. V.; Sriram, Dharmarajan; Guru Row, Tayur N.; et al, European Journal of Medicinal Chemistry, 2017, 131, 275-288

Production Method 7

Reaction Conditions
1.1 Reagents: Potassium acetate ,  Iodine chloride Solvents: Acetic acid ;  3 h, 80 °C
Reference
Discovery of 3-Alkoxyamino-5-(pyridin-2-ylamino)pyrazine-2-carbonitriles as Selective, Orally Bioavailable CHK1 Inhibitors
Lainchbury, Michael; Matthews, Thomas P.; McHardy, Tatiana; Boxall, Kathy J.; Walton, Michael I.; et al, Journal of Medicinal Chemistry, 2012, 55(22), 10229-10240

Production Method 8

Reaction Conditions
1.1 Reagents: Potassium acetate Solvents: Pentane ;  5 h, 70 °C; 70 °C → rt
1.2 Reagents: Sodium bicarbonate Solvents: Ethyl acetate ,  Water ;  rt
Reference
Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737)
Osborne, James D.; Matthews, Thomas P.; McHardy, Tatiana; Proisy, Nicolas; Cheung, Kwai-Ming J.; et al, Journal of Medicinal Chemistry, 2016, 59(11), 5221-5237

Production Method 9

Reaction Conditions
1.1 Reagents: Iodine ,  Sulfuric acid, silver(2+) salt (1:1) Solvents: Ethanol ;  72 h, rt
Reference
Discovery and optimization of indoles and 7-azaindoles as Rho kinase (ROCK) inhibitors (part-I)
Chowdhury, Sarwat; Sessions, E. Hampton; Pocas, Jennifer R.; Grant, Wayne; Schroeter, Thomas; et al, Bioorganic & Medicinal Chemistry Letters, 2011, 21(23), 7107-7112

2-chloro-5-iodopyridin-4-amine Raw materials

2-chloro-5-iodopyridin-4-amine Preparation Products

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