| CAS Number | 1528267-02-8 |
| Catalog Number | AG01B6JV |
| Chemical Name | 5-bromo-N-(oxetan-3-yl)pyridine-2-carboxamide |
| IUPAC Name | 5-bromo-N-(oxetan-3-yl)pyridine-2-carboxamide |
| InChI | InChI=1S/C9H9BrN2O2/c10-6-1-2-8(11-3-6)9(13)12-7-4-14-5-7/h1-3,7H,4-5H2,(H,12,13) |
| InChI Key | LGIZKQZLAHWTSJ-UHFFFAOYSA-N |
| MDL Number | MFCD23839864 |
| Molecular Formula | C9H9BrN2O2 |
| Molecular Weight | 257.084 |
| SMILES | BrC1=CC=C(N=C1)C(=O)NC1COC1 |
| Synonyms | 5-bromo-N-(oxetan-3-yl)pyridine-2-carboxamide,
1528267-02-8,
ZINC87195980,
AKOS018669557,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.087g/mol |
| Monoisotopic Mass | 255.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number