| CAS Number | 1361385-86-5 |
| Catalog Number | AG01FL5H(AGN-PC-3H4B1P) |
| Chemical Name | methyl 2-bromo-5-nitropyridine-4-carboxylate |
| IUPAC Name | methyl 2-bromo-5-nitropyridine-4-carboxylate |
| InChI | InChI=1S/C7H5BrN2O4/c1-14-7(11)4-2-6(8)9-3-5(4)10(12)13/h2-3H,1H3 |
| InChI Key | JVSYSLJNDBKBOH-UHFFFAOYSA-N |
| MDL Number | MFCD21606315 |
| Molecular Formula | C7H5BrN2O4 |
| Molecular Weight | 261.0296 |
| SMILES | COC(C1=C([N+]([O-])=O)C=NC(Br)=C1)=O |
| Synonyms | Methyl 2-bromo-5-nitroisonicotinate,
1361385-86-5,
Methyl 2-bromo-5-nitropyridine-4-carboxylate,
MFCD21606315,
ZINC72265963,
AKOS030627776,
2-Bromo-4-(methoxycarbonyl)-5-nitropyridine,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.031g/mol |
| Monoisotopic Mass | 259.943g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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