| CAS Number | 1437794-74-5 |
| Catalog Number | AG00AQJY(AGN-PC-0WAEOU) |
| Chemical Name | N-Propyl 5-nitropicolinamide |
| IUPAC Name | 5-nitro-N-propylpyridine-2-carboxamide |
| InChI | InChI=1S/C9H11N3O3/c1-2-5-10-9(13)8-4-3-7(6-11-8)12(14)15/h3-4,6H,2,5H2,1H3,(H,10,13) |
| InChI Key | JKSFSCZUYIRIOH-UHFFFAOYSA-N |
| MDL Number | MFCD24448822 |
| Molecular Formula | C9H11N3O3 |
| Molecular Weight | 209.2019 |
| SMILES | CCCNC(=O)c1ccc(cn1)[N+](=O)[O-] |
| Synonyms | N-Propyl 5-nitropicolinamide,
1437794-74-5,
5-Nitro-N-propylpicolinamide,
ZINC95495965,
V3290,
C9H11N3O3,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.205g/mol |
| Monoisotopic Mass | 209.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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