| CAS Number | 870100-07-5 |
| Catalog Number | AG019ESB(AGN-PC-0WG45T) |
| Chemical Name | Methyl 5-Amino-4-Bromopyridine-2-Carboxylate |
| IUPAC Name | methyl 5-amino-4-bromopyridine-2-carboxylate |
| InChI | InChI=1S/C7H7BrN2O2/c1-12-7(11)6-2-4(8)5(9)3-10-6/h2-3H,9H2,1H3 |
| InChI Key | BUHGUFLWIGXCIX-UHFFFAOYSA-N |
| MDL Number | MFCD22681803 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | NC=1C(=CC(=NC1)C(=O)OC)Br |
| Synonyms | Methyl 5-amino-4-bromopicolinate,
870100-07-5,
methyl 5-amino-4-bromopyridine-2-carboxylate,
SCHEMBL3426096,
BUHGUFLWIGXCIX-UHFFFAOYSA-N,
MFCD22681803,
ZINC139821117,
AS-54959,
CS-0037399,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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