| CAS Number | 1289078-12-1 |
| Catalog Number | AG01BGIR(AGN-PC-0WOS72) |
| Chemical Name | 2-[(5-bromopyridin-3-yl)amino]ethan-1-ol |
| IUPAC Name | 2-[(5-bromopyridin-3-yl)amino]ethanol |
| InChI | InChI=1S/C7H9BrN2O/c8-6-3-7(5-9-4-6)10-1-2-11/h3-5,10-11H,1-2H2 |
| InChI Key | VAZZBFYFAPHBGP-UHFFFAOYSA-N |
| MDL Number | MFCD26801045 |
| Molecular Formula | C7H9BrN2O |
| Molecular Weight | 217.0632 |
| SMILES | OCCNC1=CC(Br)=CN=C1 |
| Synonyms | 2-[(5-bromopyridin-3-yl)amino]ethan-1-ol,
1289078-12-1,
ZINC98210143,
AKOS026742262,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.066g/mol |
| Monoisotopic Mass | 215.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number