| CAS Number | 1228665-59-5 |
| Catalog Number | AG00HH2U(AGN-PC-0WBQUY) |
| Chemical Name | 1-(2-Fluoro-6-(pyrrolidin-1-YL)pyridin-4-YL)-ethanone |
| IUPAC Name | 1-(2-fluoro-6-pyrrolidin-1-ylpyridin-4-yl)ethanone |
| InChI | InChI=1S/C11H13FN2O/c1-8(15)9-6-10(12)13-11(7-9)14-4-2-3-5-14/h6-7H,2-5H2,1H3 |
| InChI Key | WQRQATHBJTYJSV-UHFFFAOYSA-N |
| MDL Number | MFCD15530260 |
| Molecular Formula | C11H13FN2O |
| Molecular Weight | 208.2321 |
| SMILES | Fc1nc(cc(c1)C(=O)C)N1CCCC1 |
| Synonyms | 1-(2-FLUORO-6-(PYRROLIDIN-1-YL)PYRIDIN-4-YL)-ETHANONE,
1228665-59-5,
1-(2-Fluoro-6-(pyrrolidin-1-yl)pyridin-4-yl)ethanone,
1-[2-fluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]ethanone,
AC1Q1JKN,
CTK7C2776,
2593AD,
MFCD15530260,
ZINC39961263,
AKOS015853449,
TR-071246,
K-1733,
1-(2-Fluoro-6-(pyrrolidin-1-yl)pyridin-4-yl)ethanone, AldrichCPR,
C11H13FN2O,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.236g/mol |
| Monoisotopic Mass | 208.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number