| CAS Number | 1378825-44-5 |
| Catalog Number | AG01FR0Q(AGN-PC-0WAK70) |
| Chemical Name | 4-Methyl-3-nitropicolinonitrile |
| IUPAC Name | 4-methyl-3-nitropyridine-2-carbonitrile |
| InChI | InChI=1S/C7H5N3O2/c1-5-2-3-9-6(4-8)7(5)10(11)12/h2-3H,1H3 |
| InChI Key | KDEKTOZYMJTMNS-UHFFFAOYSA-N |
| MDL Number | MFCD19689064 |
| Molecular Formula | C7H5N3O2 |
| Molecular Weight | 163.1335 |
| SMILES | N#Cc1nccc(c1[N+](=O)[O-])C |
| Synonyms | 4-Methyl-3-nitropicolinonitrile,
1378825-44-5,
SCHEMBL15758244,
KDEKTOZYMJTMNS-UHFFFAOYSA-N,
ZINC223342840,
FCH1192859,
BBV-39833657,
AX8270607,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.038176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.13g/mol |
| Monoisotopic Mass | 163.038176g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 82.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number