| CAS Number | 1157002-06-6 |
| Catalog Number | AG01B7QL(AGN-PC-0WOUEK) |
| Chemical Name | N-{2-[(5-bromopyridin-2-yl)amino]ethyl}acetamide |
| IUPAC Name | N-[2-[(5-bromopyridin-2-yl)amino]ethyl]acetamide |
| InChI | InChI=1S/C9H12BrN3O/c1-7(14)11-4-5-12-9-3-2-8(10)6-13-9/h2-3,6H,4-5H2,1H3,(H,11,14)(H,12,13) |
| InChI Key | ZNAMWCLKWQVGPJ-UHFFFAOYSA-N |
| MDL Number | MFCD12136246 |
| Molecular Formula | C9H12BrN3O |
| Molecular Weight | 258.1151 |
| SMILES | CC(NCCNC1=NC=C(Br)C=C1)=O |
| Synonyms | N-{2-[(5-bromopyridin-2-yl)amino]ethyl}acetamide,
1157002-06-6,
ZINC36746437,
AKOS009573396,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.119g/mol |
| Monoisotopic Mass | 257.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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