| CAS Number | 1803592-31-5 |
| Catalog Number | AG01B7WT(AGN-PC-0WOTFS) |
| Chemical Name | methyl 2-amino-3-nitropyridine-4-carboxylate |
| IUPAC Name | methyl 2-amino-3-nitropyridine-4-carboxylate |
| InChI | InChI=1S/C7H7N3O4/c1-14-7(11)4-2-3-9-6(8)5(4)10(12)13/h2-3H,1H3,(H2,8,9) |
| InChI Key | UFDPDNJTFWOYLU-UHFFFAOYSA-N |
| MDL Number | MFCD28145558 |
| Molecular Formula | C7H7N3O4 |
| Molecular Weight | 197.1482 |
| SMILES | COC(C1=C([N+]([O-])=O)C(N)=NC=C1)=O |
| Synonyms | methyl 2-amino-3-nitropyridine-4-carboxylate,
1803592-31-5,
AKOS026743113,
ZINC170619047,
Z1983079376,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.15g/mol |
| Monoisotopic Mass | 197.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number