| CAS Number | 412035-35-9 |
| Catalog Number | AG00CLOK(AGN-PC-0WAZOL) |
| Chemical Name | 5-Bromo-3-nitropyridine-2-carboxamide |
| IUPAC Name | 5-bromo-3-nitropyridine-2-carboxamide |
| InChI | InChI=1S/C6H4BrN3O3/c7-3-1-4(10(12)13)5(6(8)11)9-2-3/h1-2H,(H2,8,11) |
| InChI Key | OTFOXVHWINGUKW-UHFFFAOYSA-N |
| MDL Number | MFCD22383769 |
| Molecular Formula | C6H4BrN3O3 |
| Molecular Weight | 246.0183 |
| SMILES | O=C(C1=NC=C(Br)C=C1[N+]([O-])=O)N |
| Synonyms | 5-Bromo-3-nitropyridine-2-carboxamide,
412035-35-9,
5-Bromo-3-nitropicolinamide,
ACMC-209jja,
C6H4BrN3O3,
SCHEMBL2004531,
CTK8B1661,
DTXSID10736666,
OTFOXVHWINGUKW-UHFFFAOYSA-N,
ANW-29588,
ZINC85482091,
AKOS024462310,
FCH1634133,
GS-0603,
KS-000025K3,
CJ-22501,
AX8270667,
TC-118333,
V5846,
5-Bromo-3-nitro-pyridine-2-carboxylic acid amide,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.02g/mol |
| Monoisotopic Mass | 244.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number