| CAS Number | 1228670-52-7 |
| Catalog Number | AG00HH4W(AGN-PC-0WBQV2) |
| Chemical Name | (E)-Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-4-yl)acrylate |
| IUPAC Name | methyl (E)-3-(2-fluoro-6-pyrrolidin-1-ylpyridin-4-yl)prop-2-enoate |
| InChI | InChI=1S/C13H15FN2O2/c1-18-13(17)5-4-10-8-11(14)15-12(9-10)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3/b5-4+ |
| InChI Key | RZEPZLUMSUCULD-SNAWJCMRSA-N |
| MDL Number | MFCD15530268 |
| Molecular Formula | C13H15FN2O2 |
| Molecular Weight | 250.2688 |
| SMILES | COC(=O)/C=C/c1cc(F)nc(c1)N1CCCC1 |
| Synonyms | (E)-Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-4-yl)acrylate,
1228670-52-7,
AC1Q41K2,
MFCD15530268,
ZINC39961269,
AKOS015853431,
TR-071254,
K-1760,
methyl (2E)-3-[2-fluoro-6-(pyrrolidin-1-yl)pyridin-4-yl]prop-2-enoate,
(E)-Methyl 3-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-4-yl)acrylate, AldrichCPR,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 250.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.273g/mol |
| Monoisotopic Mass | 250.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number