| CAS Number | 1050910-31-0 |
| Catalog Number | AG019M9O |
| Chemical Name | 3-Oxo-3-piperidin-1-yl-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile |
| IUPAC Name | 3-oxo-3-piperidin-1-yl-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile |
| InChI | InChI=1S/C14H14F3N3O/c15-14(16,17)10-4-5-12(19-9-10)11(8-18)13(21)20-6-2-1-3-7-20/h4-5,9,11H,1-3,6-7H2 |
| InChI Key | YUXDMNOQCYGFAL-UHFFFAOYSA-N |
| MDL Number | MFCD10686696 |
| Molecular Formula | C14H14F3N3O |
| Molecular Weight | 297.2757 |
| SMILES | FC(C1=CN=C(C(C(N2CCCCC2)=O)C#N)C=C1)(F)F |
| Synonyms | 3-oxo-3-(piperidin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile,
1050910-31-0,
EN300-35543,
3-oxo-3-piperidin-1-yl-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile,
AC1Q4JDT,
CTK7C4918,
AKOS034591986,
MCULE-5359563639,
NE35993,
Z803145382,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.281g/mol |
| Monoisotopic Mass | 297.109g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number