| CAS Number | 1211538-57-6 |
| Catalog Number | AG00HFYP(AGN-PC-0WNNSG) |
| Chemical Name | 3-(BOC-Amino)-5-bromopicoline |
| IUPAC Name | tert-butyl N-(5-bromo-2-methylpyridin-3-yl)carbamate |
| InChI | InChI=1S/C11H15BrN2O2/c1-7-9(5-8(12)6-13-7)14-10(15)16-11(2,3)4/h5-6H,1-4H3,(H,14,15) |
| InChI Key | FZEYTKWKUSLYOQ-UHFFFAOYSA-N |
| MDL Number | MFCD18256173 |
| Molecular Formula | C11H15BrN2O2 |
| Molecular Weight | 287.1530 |
| SMILES | CC1=C(NC(OC(C)(C)C)=O)C=C(Br)C=N1 |
| Synonyms | 3-(BOC-Amino)-5-bromopicoline,
1211538-57-6,
SCHEMBL2068048,
FZEYTKWKUSLYOQ-UHFFFAOYSA-N,
ZINC117936562,
(5-bromo-2-methyl-pyridin-3-yl)-carbamic acid tert-butyl ester,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.157g/mol |
| Monoisotopic Mass | 286.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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