| CAS Number | 1462-88-0 |
| Catalog Number | AG001DST(AGN-PC-00LWOG) |
| Chemical Name | 5-Nitro-3-pyridinecarboxamide |
| IUPAC Name | 5-nitropyridine-3-carboxamide |
| InChI | InChI=1S/C6H5N3O3/c7-6(10)4-1-5(9(11)12)3-8-2-4/h1-3H,(H2,7,10) |
| InChI Key | NRIRFQSGTYJBCX-UHFFFAOYSA-N |
| MDL Number | MFCD17014997 |
| Molecular Formula | C6H5N3O3 |
| Molecular Weight | 167.1222 |
| SMILES | NC(=O)c1cncc(c1)[N+](=O)[O-] |
| Synonyms | 5-nitronicotinamide,
1462-88-0,
3-Pyridinecarboxamide, 5-nitro-,
5-Nitro-nicotinamide,
5-nitro-3-Pyridinecarboxamide,
5-Nitropyridine-3-carboxamide,
CHEMBL28765,
5-nitro-pyridine-3-carboxamide,
SCHEMBL6086071,
CTK0E9362,
DTXSID30535092,
NRIRFQSGTYJBCX-UHFFFAOYSA-N,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.124g/mol |
| Monoisotopic Mass | 167.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number