| CAS Number | 887707-29-1 |
| Catalog Number | AG00IFGT(AGN-PC-0WOJXE) |
| Chemical Name | 2-Methoxy-3-(trifluoromethyl)-5-cyanopyridine |
| IUPAC Name | 6-methoxy-5-(trifluoromethyl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C8H5F3N2O/c1-14-7-6(8(9,10)11)2-5(3-12)4-13-7/h2,4H,1H3 |
| InChI Key | LMODEHOSNLUKSK-UHFFFAOYSA-N |
| MDL Number | MFCD09261085 |
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.1333 |
| SMILES | COC1=NC=C(C=C1C(F)(F)F)C#N |
| Synonyms | 887707-29-1,
6-METHOXY-5-(TRIFLUOROMETHYL)NICOTINONITRILE,
2-METHOXY-3-(TRIFLUOROMETHYL)-5-CYANOPYRIDINE,
SCHEMBL2707348,
DTXSID20470605,
MFCD09261085,
ZINC38246958,
AS-42365,
FT-0695692,
X-2714,
5-(Trifluoromethyl)-6-methoxypyridine-3-carbonitrile,
CID11687090,
6-methoxy-5-(trifluoromethyl)pyridine-3-carbonitrile,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.136g/mol |
| Monoisotopic Mass | 202.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number