| CAS Number | 1437794-67-6 |
| Catalog Number | AG00AQIF(AGN-PC-0WAEHP) |
| Chemical Name | N-Butyl 5-nitropicolinamide |
| IUPAC Name | N-butyl-5-nitropyridine-2-carboxamide |
| InChI | InChI=1S/C10H13N3O3/c1-2-3-6-11-10(14)9-5-4-8(7-12-9)13(15)16/h4-5,7H,2-3,6H2,1H3,(H,11,14) |
| InChI Key | PCTHYKZDUGQVRA-UHFFFAOYSA-N |
| MDL Number | MFCD24448820 |
| Molecular Formula | C10H13N3O3 |
| Molecular Weight | 223.2285 |
| SMILES | CCCCNC(=O)c1ccc(cn1)[N+](=O)[O-] |
| Synonyms | N-Butyl 5-nitropicolinamide,
1437794-67-6,
ZINC95495963,
V3283,
C10H13N3O3,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.232g/mol |
| Monoisotopic Mass | 223.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number