| CAS Number | 1196154-61-6 |
| Catalog Number | AG01EL4Q |
| Chemical Name | 1-(2-amino-5-bromopyridin-3-yl)ethan-1-one |
| IUPAC Name | 1-(2-amino-5-bromopyridin-3-yl)ethanone |
| InChI | InChI=1S/C7H7BrN2O/c1-4(11)6-2-5(8)3-10-7(6)9/h2-3H,1H3,(H2,9,10) |
| InChI Key | SEKSQHBOPVONLC-UHFFFAOYSA-N |
| MDL Number | MFCD13190081 |
| Molecular Formula | C7H7BrN2O |
| Molecular Weight | 215.0473 |
| SMILES | Brc1cnc(c(c1)C(=O)C)N |
| Synonyms | 1-(2-AMINO-5-BROMOPYRIDIN-3-YL)ETHANONE,
1196154-61-6,
SCHEMBL11992010,
AKOS024085607,
AB69719,
1-(2-AMINO-5-BROMOPYRIDIN-3-YL)ETHAN-1-ONE,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.05g/mol |
| Monoisotopic Mass | 213.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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