Cas no 845305-87-5 (N-Methyl 5-bromopicolinamide)

N-Methyl 5-bromopicolinamide structure
N-Methyl 5-bromopicolinamide structure
Product Name:N-Methyl 5-bromopicolinamide
CAS No:845305-87-5
MF:C7H7BrN2O
MW:215.047280550003
MDL:MFCD07357421
CID:716334
PubChem ID:22831620
Update Time:2024-10-26

N-Methyl 5-bromopicolinamide Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-N-methylpicolinamide
    • 5-Bromo-N-methylpyridine-2-carboxamide
    • Methyl 5-bromonicotinate
    • N-Methyl 5-bromopicolinamide
    • 5-bromo-N-methyl-2-pyridinecarboxamide
    • N-methyl-5-bromopicolinamide
    • 2-Pyridinecarboxamide, 5-bromo-N-methyl-
    • N-Methyl5-bromopicolinamide
    • OHYCXPXWHPWYFX-UHFFFAOYSA-N
    • N-Methyl 5-bromopicolinamide, AldrichCPR
    • Z0872
    • ST24029414
    • 5-Bromo-N-methyl-2-pyridinecarboxamide (ACI)
    • 5-Bromo-N-methylpyridin-2-carboxamide
    • N-Methyl-5-bromopyridine-2-carboxamide
    • MFCD07357421
    • C90134
    • SCHEMBL1095318
    • DTXSID80628488
    • PS-3475
    • 845305-87-5
    • CS-0030263
    • SY357325
    • AKOS012252335
    • Z1065605118
    • EN300-813971
    • MDL: MFCD07357421
    • Inchi: 1S/C7H7BrN2O/c1-9-7(11)6-3-2-5(8)4-10-6/h2-4H,1H3,(H,9,11)
    • InChI Key: OHYCXPXWHPWYFX-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(Br)=CN=1)NC

Computed Properties

  • Exact Mass: 213.97400
  • Monoisotopic Mass: 213.97418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 151
  • 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: 42
  • XLogP3: 1.2

Experimental Properties

  • Melting Point: 76-77℃
  • PSA: 41.99000
  • LogP: 1.59460

N-Methyl 5-bromopicolinamide Security Information

  • Hazardous Material Identification: Xi

N-Methyl 5-bromopicolinamide 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%

N-Methyl 5-bromopicolinamide Pricemore >>

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N-Methyl 5-bromopicolinamide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Water ;  2 h, 80 °C; 3 - 4 h, 80 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 4 - 5
2.1 Reagents: Thionyl chloride ;  rt; 2 h, reflux
3.1 Solvents: Tetrahydrofuran ;  cooled; 2 h, rt
Reference
Discovery of biphenyl-aryl ureas as novel VEGFR-2 inhibitors. Part 4: Exploration of diverse hinge-binding fragments
Su, Ping; et al, Bioorganic & Medicinal Chemistry, 2015, 23(13), 3228-3236

Production Method 2

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  cooled; 2 h, rt
Reference
Discovery of biphenyl-aryl ureas as novel VEGFR-2 inhibitors. Part 4: Exploration of diverse hinge-binding fragments
Su, Ping; et al, Bioorganic & Medicinal Chemistry, 2015, 23(13), 3228-3236

Production Method 3

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  rt; 2 h, reflux
2.1 Solvents: Tetrahydrofuran ;  cooled; 2 h, rt
Reference
Discovery of biphenyl-aryl ureas as novel VEGFR-2 inhibitors. Part 4: Exploration of diverse hinge-binding fragments
Su, Ping; et al, Bioorganic & Medicinal Chemistry, 2015, 23(13), 3228-3236

N-Methyl 5-bromopicolinamide Raw materials

N-Methyl 5-bromopicolinamide Preparation Products

N-Methyl 5-bromopicolinamide Related Literature

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