| CAS Number | 1780407-08-0 |
| Catalog Number | AG01BVS5 |
| Chemical Name | 3-(Trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyridine-1-carboxylic acid |
| IUPAC Name | 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid |
| InChI | InChI=1S/C9H9F3N2O2/c10-9(11,12)8-13-6(7(15)16)5-3-1-2-4-14(5)8/h1-4H2,(H,15,16) |
| InChI Key | DKSTYAFVMSNUFP-UHFFFAOYSA-N |
| MDL Number | MFCD29079553 |
| Molecular Formula | C9H9F3N2O2 |
| Molecular Weight | 234.1752 |
| SMILES | OC(C1=C2N(CCCC2)C(C(F)(F)F)=N1)=O |
| Synonyms | 3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyridine-1-carboxylic acid,
1780407-08-0,
ZINC212393566,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.178g/mol |
| Monoisotopic Mass | 234.062g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number