| CAS Number | 1228666-25-8 |
| Catalog Number | AG00HH3X(AGN-PC-0WBQTD) |
| Chemical Name | 1-(2-Methoxy-6-(pyrrolidin-1-yl)pyridin-3-yl)-ethanone |
| IUPAC Name | 1-(2-methoxy-6-pyrrolidin-1-ylpyridin-3-yl)ethanone |
| InChI | InChI=1S/C12H16N2O2/c1-9(15)10-5-6-11(13-12(10)16-2)14-7-3-4-8-14/h5-6H,3-4,7-8H2,1-2H3 |
| InChI Key | OTZBSFUABFFMTH-UHFFFAOYSA-N |
| MDL Number | MFCD15530252 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | COc1nc(ccc1C(=O)C)N1CCCC1 |
| Synonyms | 1-(2-METHOXY-6-(PYRROLIDIN-1-YL)PYRIDIN-3-YL)-ETHANONE,
1228666-25-8,
1-(2-Methoxy-6-(pyrrolidin-1-yl)pyridin-3-yl)ethanone,
1-[2-methoxy-6-(pyrrolidin-1-yl)pyridin-3-yl]ethanone,
AC1Q44XH,
CTK7B1993,
2646AD,
MFCD15530252,
ZINC39961260,
AKOS015852042,
DA-18756,
TR-071238,
FT-0757249,
1-(2-Methoxy-6-(pyrrolidin-1-yl)pyridin-3-yl)ethanone, AldrichCPR,
C12H16N2O2,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number