| CAS Number | 178876-85-2 |
| Catalog Number | AG00HZX0(AGN-PC-0WRAD3) |
| Chemical Name | methyl 3-bromo-6-acetamidopyridine-2-carboxylate |
| IUPAC Name | methyl 6-acetamido-3-bromopyridine-2-carboxylate |
| InChI | InChI=1S/C9H9BrN2O3/c1-5(13)11-7-4-3-6(10)8(12-7)9(14)15-2/h3-4H,1-2H3,(H,11,12,13) |
| InChI Key | JMJWQHXXOYHKPM-UHFFFAOYSA-N |
| MDL Number | MFCD27578199 |
| Molecular Formula | C9H9BrN2O3 |
| Molecular Weight | 273.0834 |
| SMILES | COC(=O)c1nc(ccc1Br)NC(=O)C |
| Synonyms | 178876-85-2,
Methyl 6-acetamido-3-bromopicolinate,
METHYL 3-BROMO-6-ACETAMIDOPYRIDINE-2-CARBOXYLATE,
ZINC38956249,
AKOS027439344,
6-(Acetylamino)-3-bromopyridine-2-carboxylic acid methyl ester,
CID10492453,
Methyl 6-acetamido-3-bromo-pyridine-2-carboxylate,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.086g/mol |
| Monoisotopic Mass | 271.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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