| CAS Number | 69278-08-6 |
| Catalog Number | AG01BTNU |
| Chemical Name | N-(3-cyanopyridin-2-yl)acetamide |
| IUPAC Name | N-(3-cyanopyridin-2-yl)acetamide |
| InChI | InChI=1S/C8H7N3O/c1-6(12)11-8-7(5-9)3-2-4-10-8/h2-4H,1H3,(H,10,11,12) |
| InChI Key | FZQJJMNVXNHAMM-UHFFFAOYSA-N |
| MDL Number | MFCD11520026 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | CC(NC1=C(C#N)C=CC=N1)=O |
| Synonyms | N-(3-cyanopyridin-2-yl)acetamide,
69278-08-6,
acetamide,n-(3-cyano-2-pyridinyl)-,
2-Acetylaminopyridine-3-carbonitrile,
ZINC35570314,
AKOS006324720,
Acetamide, N-(3-cyano-2-pyridinyl)-,
SC-60530,
Z2756841862,
CID10953821,
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| Complexity | 218 |
| 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 | 1 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number