| CAS Number | 874772-68-6 |
| Catalog Number | AG019U88 |
| Chemical Name | 1-[3-(Trifluoromethyl)pyridin-2-yl]piperidine-3-carboxylic acid |
| IUPAC Name | 1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxylic acid |
| InChI | InChI=1S/C12H13F3N2O2/c13-12(14,15)9-4-1-5-16-10(9)17-6-2-3-8(7-17)11(18)19/h1,4-5,8H,2-3,6-7H2,(H,18,19) |
| InChI Key | ZLGAIZATGMSSMM-UHFFFAOYSA-N |
| MDL Number | MFCD02091543 |
| Molecular Formula | C12H13F3N2O2 |
| Molecular Weight | 274.2390 |
| SMILES | OC(C1CN(C2=C(C(F)(F)F)C=CC=N2)CCC1)=O |
| Synonyms | 1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxylic acid,
874772-68-6,
AC1Q74I0,
CTK7I9494,
AKOS000147430,
AKOS016903603,
MCULE-9118175229,
NE41707,
EN300-40872,
Z373102348,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.243g/mol |
| Monoisotopic Mass | 274.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number