Cas no 647826-69-5 (2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)-)

2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)- structure
647826-69-5 structure
Product Name:2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)-
CAS No:647826-69-5
MF:C10H13BrN2O
MW:257.127021551132
CID:417367
PubChem ID:10999696
Update Time:2025-04-19

2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)-
    • 5-bromo-N-tert-butylpyridine-2-carboxamide
    • 647826-69-5
    • MFCD17259445
    • 5-bromo-pyridine-2-carboxylic acid tert-butylamide
    • DTXSID10451387
    • CS-0191867
    • AKOS012251813
    • E91350
    • SCHEMBL13388549
    • 5-bromo-N-(tert-butyl)picolinamide
    • 5-Bromo-N-(t-butyl)picolinamide
    • CSHMSFDZSULBAW-UHFFFAOYSA-N
    • Inchi： 1S/C10H13BrN2O/c1-10(2,3)13-9(14)8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,13,14)
    • InChI Key： CSHMSFDZSULBAW-UHFFFAOYSA-N
    • SMILES： BrC1=CN=C(C=C1)C(NC(C)(C)C)=O

Computed Properties

  • Exact Mass: 256.02119
  • Monoisotopic Mass: 256.02113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 213
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 42?2

Experimental Properties

  • PSA: 41.99

2-Pyridinecarboxamide, 5-bromo-N-(1,1-dimethylethyl)- Pricemore >>

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