| CAS Number | 950778-43-5 |
| Catalog Number | AG01FR45(AGN-PC-0WOKZY) |
| Chemical Name | 6-methoxy-3-nitro-pyridine-2-carbonitrile |
| IUPAC Name | 6-methoxy-3-nitropyridine-2-carbonitrile |
| InChI | InChI=1S/C7H5N3O3/c1-13-7-3-2-6(10(11)12)5(4-8)9-7/h2-3H,1H3 |
| InChI Key | YLBYQWJIFUMVLU-UHFFFAOYSA-N |
| MDL Number | MFCD07780780 |
| Molecular Formula | C7H5N3O3 |
| Molecular Weight | 179.1329 |
| SMILES | N#CC1=NC(OC)=CC=C1[N+]([O-])=O |
| Synonyms | 6-methoxy-3-nitropyridine-2-carbonitrile,
950778-43-5,
6-methoxy-3-nitropicolinonitrile,
SCHEMBL621047,
YLBYQWJIFUMVLU-UHFFFAOYSA-N,
AKOS006287114,
ZINC104395831,
DB-108138,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.033091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.13g/mol |
| Monoisotopic Mass | 179.033091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number