| CAS Number | 1289027-00-4 |
| Catalog Number | AG00HRV2 |
| Chemical Name | Methyl 1-(5-bromo-2-pyridinyl)-4-piperidinecarboxylate |
| IUPAC Name | methyl 1-(5-bromopyridin-2-yl)piperidine-4-carboxylate |
| InChI | InChI=1S/C12H15BrN2O2/c1-17-12(16)9-4-6-15(7-5-9)11-3-2-10(13)8-14-11/h2-3,8-9H,4-7H2,1H3 |
| InChI Key | STGOLDLPNDJGOC-UHFFFAOYSA-N |
| MDL Number | MFCD18314235 |
| Molecular Formula | C12H15BrN2O2 |
| Molecular Weight | 299.1637 |
| SMILES | COC(C1CCN(C2=NC=C(Br)C=C2)CC1)=O |
| Synonyms | methyl 1-(5-bromopyridin-2-yl)piperidine-4-carboxylate,
1289027-00-4,
ZINC48571278,
AKOS010485014,
Z796155626,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.168g/mol |
| Monoisotopic Mass | 298.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number