| CAS Number | 1457786-52-5 |
| Catalog Number | AG01C3NH |
| Chemical Name | ethyl 1-(5-bromopyridin-2-yl)piperidine-3-carboxylate |
| IUPAC Name | ethyl 1-(5-bromopyridin-2-yl)piperidine-3-carboxylate |
| InChI | InChI=1S/C13H17BrN2O2/c1-2-18-13(17)10-4-3-7-16(9-10)12-6-5-11(14)8-15-12/h5-6,8,10H,2-4,7,9H2,1H3 |
| InChI Key | KDYNRDBLDBILSS-UHFFFAOYSA-N |
| MDL Number | MFCD15487737 |
| Molecular Formula | C13H17BrN2O2 |
| Molecular Weight | 313.1903 |
| SMILES | CCOC(C1CN(C2=NC=C(Br)C=C2)CCC1)=O |
| Synonyms | ethyl 1-(5-bromopyridin-2-yl)piperidine-3-carboxylate,
1457786-52-5,
AKOS010484817,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.195g/mol |
| Monoisotopic Mass | 312.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number