| CAS Number | 31309-10-1 |
| Catalog Number | AG01AJNX(AGN-PC-0WOCKO) |
| Chemical Name | 2-(methylamino)-5-nitropyridine-3-carbonitrile |
| IUPAC Name | 2-(methylamino)-5-nitropyridine-3-carbonitrile |
| InChI | InChI=1S/C7H6N4O2/c1-9-7-5(3-8)2-6(4-10-7)11(12)13/h2,4H,1H3,(H,9,10) |
| InChI Key | IXKHCFPGHWVDES-UHFFFAOYSA-N |
| MDL Number | MFCD16661607 |
| Molecular Formula | C7H6N4O2 |
| Molecular Weight | 178.1481 |
| SMILES | CNC1=C(C#N)C=C([N+]([O-])=O)C=N1 |
| Synonyms | 2-(methylamino)-5-nitropyridine-3-carbonitrile,
31309-10-1,
ZINC48935332,
AKOS009047286,
NE20797,
EN300-81527,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.151g/mol |
| Monoisotopic Mass | 178.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 94.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number