| CAS Number | 1016839-74-9 |
| Catalog Number | AG01AHQ4 |
| Chemical Name | 3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino}propanoic acid |
| IUPAC Name | 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]propanoic acid |
| InChI | InChI=1S/C9H8ClF3N2O2/c10-6-3-5(9(11,12)13)4-15-8(6)14-2-1-7(16)17/h3-4H,1-2H2,(H,14,15)(H,16,17) |
| InChI Key | NFAWCGNEVAXAQK-UHFFFAOYSA-N |
| MDL Number | MFCD09944771 |
| Molecular Formula | C9H8ClF3N2O2 |
| Molecular Weight | 268.6202 |
| SMILES | OC(CCNC1=C(Cl)C=C(C(F)(F)F)C=N1)=O |
| Synonyms | 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}propanoic acid,
1016839-74-9,
ZINC19505076,
AKOS000191456,
MCULE-1512814858,
NE20371,
EN300-75468,
Z127689226,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.62g/mol |
| Monoisotopic Mass | 268.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number