| CAS Number | 1820639-75-5 |
| Catalog Number | AG00I0LP(AGN-PC-0WR479) |
| Chemical Name | Methyl 5-nitro-6-(pyrrolidin-1-yl)pyridine-3-carboxylate |
| IUPAC Name | methyl 5-nitro-6-pyrrolidin-1-ylpyridine-3-carboxylate |
| InChI | InChI=1S/C11H13N3O4/c1-18-11(15)8-6-9(14(16)17)10(12-7-8)13-4-2-3-5-13/h6-7H,2-5H2,1H3 |
| InChI Key | INFVPPLMJDRDRY-UHFFFAOYSA-N |
| MDL Number | MFCD25953918 |
| Molecular Formula | C11H13N3O4 |
| Molecular Weight | 251.2386 |
| SMILES | COC(=O)c1cnc(c(c1)[N+](=O)[O-])N1CCCC1 |
| Synonyms | METHYL 5-NITRO-6-(PYRROLIDIN-1-YL)PYRIDINE-3-CARBOXYLATE,
1820639-75-5,
KM5554,
ZINC95495993,
Y2945,
C11H13N3O4,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.242g/mol |
| Monoisotopic Mass | 251.091g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number