| CAS Number | 1335056-00-2 |
| Catalog Number | AG00HSYA(AGN-PC-0WP1QQ) |
| Chemical Name | 5-Bromo-2-chloro-3-(pyrrolidin-1-yl)pyridine |
| IUPAC Name | 5-bromo-2-chloro-3-pyrrolidin-1-ylpyridine |
| InChI | InChI=1S/C9H10BrClN2/c10-7-5-8(9(11)12-6-7)13-3-1-2-4-13/h5-6H,1-4H2 |
| InChI Key | JZPBVTDXOKDJSJ-UHFFFAOYSA-N |
| MDL Number | MFCD30182421 |
| Molecular Formula | C9H10BrClN2 |
| Molecular Weight | 261.5461 |
| SMILES | Clc1ncc(cc1N1CCCC1)Br |
| Synonyms | 5-Bromo-2-chloro-3-(pyrrolidin-1-yl)pyridine,
1335056-00-2,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.547g/mol |
| Monoisotopic Mass | 259.972g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 16.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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