| CAS Number | 400088-55-3 |
| Catalog Number | AG01A3KG(AGN-PC-0WO8C7) |
| Chemical Name | 2-Cyano-N-(pyridin-4-yl)acetamide |
| IUPAC Name | 2-cyano-N-pyridin-4-ylacetamide |
| InChI | InChI=1S/C8H7N3O/c9-4-1-8(12)11-7-2-5-10-6-3-7/h2-3,5-6H,1H2,(H,10,11,12) |
| InChI Key | NXYFYWIFFJYFCE-UHFFFAOYSA-N |
| MDL Number | MFCD01570101 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | O=C(NC1=CC=NC=C1)CC#N |
| Synonyms | 2-cyano-N-(pyridin-4-yl)acetamide,
400088-55-3,
2-cyano-N-(4-pyridinyl)acetamide,
AC1MD6CG,
Maybridge4_000896,
KS-00003FCI,
2-cyano-N-pyridin-4-ylacetamide,
HMS1523I16,
ZINC143754,
CCG-46773,
AKOS000169870,
NE27068,
IDI1_031478,
9B-064,
SR-01000636447-1,
ZINC00143754,
CID2806410,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.164g/mol |
| Monoisotopic Mass | 161.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number