| CAS Number | 1187933-19-2 |
| Catalog Number | AG01DTRN |
| Chemical Name | 4-imino-1,4-dihydropyridine-3-carbaldehyde; trifluoroacetic acid |
| IUPAC Name | 4-aminopyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C6H6N2O.C2HF3O2/c7-6-1-2-8-3-5(6)4-9;3-2(4,5)1(6)7/h1-4H,(H2,7,8);(H,6,7) |
| InChI Key | STBDXCULUSZTMT-UHFFFAOYSA-N |
| MDL Number | MFCD09701202 |
| Molecular Formula | C8H7F3N2O3 |
| Molecular Weight | 236.1480 |
| SMILES | OC(=O)C(F)(F)F.N=c1cc[nH]cc1C=O |
| Synonyms | 4-aminonicotinaldehyde 2,2,2-trifluoroacetate,
4-AMINO-PYRIDINE-3-CARBALDEHYDE TRIFLUOROACETATE,
1187933-19-2,
TZ000831,
CS-0080149,
Z-4751,
86847-71-4,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.15g/mol |
| Monoisotopic Mass | 236.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number