| CAS Number | 1820707-39-8 |
| Catalog Number | AG00I0YP |
| Chemical Name | Methyl 5-amino-6-bromo-2-chloropyridine-3-carboxylate |
| IUPAC Name | methyl 5-amino-6-bromo-2-chloropyridine-3-carboxylate |
| InChI | InChI=1S/C7H6BrClN2O2/c1-13-7(12)3-2-4(10)5(8)11-6(3)9/h2H,10H2,1H3 |
| InChI Key | JMXVTADYQFTMDJ-UHFFFAOYSA-N |
| MDL Number | MFCD27578178 |
| Molecular Formula | C7H6BrClN2O2 |
| Molecular Weight | 265.4917 |
| SMILES | COC(=O)c1cc(N)c(nc1Cl)Br |
| Synonyms | Methyl 5-amino-6-bromo-2-chloronicotinate,
Methyl 5-amino-6-bromo-2-chloropyridine-3-carboxylate,
1820707-39-8,
ZINC97743320,
CS-0081634,
Y2942,
C7H6BrClN2O2,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.491g/mol |
| Monoisotopic Mass | 263.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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