| CAS Number | 1004-16-6 |
| Catalog Number | AG019LZX(AGN-PC-004DBR) |
| Chemical Name | 3-cyano-1-methylpyridin-1-ium iodide |
| IUPAC Name | 1-methylpyridin-1-ium-3-carbonitrile;iodide |
| InChI | InChI=1S/C7H7N2.HI/c1-9-4-2-3-7(5-8)6-9;/h2-4,6H,1H3;1H/q+1;/p-1 |
| InChI Key | QOYXETVGUYSYRK-UHFFFAOYSA-M |
| MDL Number | MFCD00229410 |
| Molecular Formula | C7H7IN2 |
| Molecular Weight | 246.0484 |
| NSC Number | 138815 |
| SMILES | [I-].C[N+]1=CC(C#N)=CC=C1 |
| Synonyms | 3-CYANO-1-METHYLPYRIDINIUM IODIDE,
1004-16-6,
3-cyano-1-methylpyridin-1-ium iodide,
EN300-33555,
SCHEMBL8404077,
CTK7C8303,
DTXSID20458786,
1-methyl-3-cyanopyridinium iodide,
QOYXETVGUYSYRK-UHFFFAOYSA-M,
NSC138815,
NE54649,
NSC-138815,
1-methylpyridine-5-carbonitrile Iodide,
CID11207327,
1-methylpyridin-1-ium-3-carbonitrile,iodide,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.051g/mol |
| Monoisotopic Mass | 245.965g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number