| CAS Number | 1188435-80-4 |
| Catalog Number | AG019UGI(AGN-PC-0WBWMS) |
| Chemical Name | 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H10ClF3N2O2/c12-7-4-6(11(13,14)15)5-16-9(7)17-3-1-2-8(17)10(18)19/h4-5,8H,1-3H2,(H,18,19) |
| InChI Key | WXKOCGWNMDEHQU-UHFFFAOYSA-N |
| MDL Number | MFCD20502119 |
| Molecular Formula | C11H10ClF3N2O2 |
| Molecular Weight | 294.6575 |
| SMILES | OC(C1N(C2=C(Cl)C=C(C(F)(F)F)C=N2)CCC1)=O |
| Synonyms | 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyrrolidine-2-carboxylic acid,
1188435-80-4,
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylic acid,
1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)pyrrolidine-2-carboxylic acid,
SCHEMBL3698930,
CTK7I9730,
AKOS000138848,
AKOS016903581,
MCULE-6705463272,
TR-048344,
EN300-41598,
Z-1890,
Z425484876,
AC1Q74JR,
(2S)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylic acid,
957009-33-5,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.03829g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.66g/mol |
| Monoisotopic Mass | 294.03829g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number