| CAS Number | 1220016-29-4 |
| Catalog Number | AG009XCP(AGN-PC-0WC3OR) |
| Chemical Name | 2-(Pyrrolidin-3-yloxy)-5-(trifluoromethyl)pyridine hydrochloride |
| IUPAC Name | 2-pyrrolidin-3-yloxy-5-(trifluoromethyl)pyridine;hydrochloride |
| InChI | InChI=1S/C10H11F3N2O.ClH/c11-10(12,13)7-1-2-9(15-5-7)16-8-3-4-14-6-8;/h1-2,5,8,14H,3-4,6H2;1H |
| InChI Key | YNVAKMDBZVRPLO-UHFFFAOYSA-N |
| MDL Number | MFCD13561268 |
| Molecular Formula | C10H12ClF3N2O |
| Molecular Weight | 268.6633 |
| SMILES | Cl.FC(C1=CN=C(OC2CNCC2)C=C1)(F)F |
| Synonyms | 1220016-29-4,
2-(pyrrolidin-3-yloxy)-5-(trifluoromethyl)pyridine hydrochloride,
2-(3-Pyrrolidinyloxy)-5-(trifluoromethyl)pyridinehydrochloride,
2-(3-Pyrrolidinyloxy)-5-(trifluoromethyl)pyridine hydrochloride,
CTK7B6738,
DTXSID30718621,
1774AD,
AKOS015848284,
NE40126,
TR-067835,
2-[(Pyrrolidin-3-yl)oxy]-5-(trifluoromethyl)pyridine--hydrogen chloride (1/1),
C10H12ClF3N2O,
YNVAKMDBZVRPLO-UHFFFAOYSA-N,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.664g/mol |
| Monoisotopic Mass | 268.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number