| CAS Number | 1247398-83-9 |
| Catalog Number | AG01B7QM |
| Chemical Name | 1-(5-Bromopyridin-2-yl)piperidine-4-carboxamide |
| IUPAC Name | 1-(5-bromopyridin-2-yl)piperidine-4-carboxamide |
| InChI | InChI=1S/C11H14BrN3O/c12-9-1-2-10(14-7-9)15-5-3-8(4-6-15)11(13)16/h1-2,7-8H,3-6H2,(H2,13,16) |
| InChI Key | USKDPTOKHGSGHP-UHFFFAOYSA-N |
| MDL Number | MFCD14650143 |
| Molecular Formula | C11H14BrN3O |
| Molecular Weight | 284.1524 |
| SMILES | NC(C1CCN(C2=NC=C(Br)C=C2)CC1)=O |
| Synonyms | 1-(5-bromopyridin-2-yl)piperidine-4-carboxamide,
1247398-83-9,
ZINC42351309,
EN300-197872,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.157g/mol |
| Monoisotopic Mass | 283.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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