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28733-43-9 | 3-Pyridinecarboxamide, 5-bromo-
CAS No: 28733-43-9 Catalog No: AG002WAG MDL No:MFCD00173919
Product Description
Catalog Number:
AG002WAG
Chemical Name:
3-Pyridinecarboxamide, 5-bromo-
CAS Number:
28733-43-9
Molecular Formula:
C6H5BrN2O
Molecular Weight:
201.0207
MDL Number:
MFCD00173919
IUPAC Name:
5-bromopyridine-3-carboxamide
InChI:
InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
InChI Key:
YOQRXZIMSKLRCY-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(Br)cnc1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.023g/mol
Monoisotopic Mass:
199.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Nicotinyl aspartyl ketones as inhibitors of caspase-3. | Bioorganic & medicinal chemistry letters 20030707 |
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