| CAS Number | 2031259-05-7 |
| Catalog Number | AG01B6F7 |
| Chemical Name | 1-(2-bromopyridin-3-yl)piperidin-2-one |
| IUPAC Name | 1-(2-bromopyridin-3-yl)piperidin-2-one |
| InChI | InChI=1S/C10H11BrN2O/c11-10-8(4-3-6-12-10)13-7-2-1-5-9(13)14/h3-4,6H,1-2,5,7H2 |
| InChI Key | IRGWFFGDWFMFLT-UHFFFAOYSA-N |
| MDL Number | MFCD30344908 |
| Molecular Formula | C10H11BrN2O |
| Molecular Weight | 255.1111 |
| SMILES | BrC1=C(N2C(=O)CCCC2)C=CC=N1 |
| Synonyms | 1-(2-bromopyridin-3-yl)piperidin-2-one,
2031259-05-7,
ZINC521399047,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.115g/mol |
| Monoisotopic Mass | 254.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number