| CAS Number | 1256826-15-9 |
| Catalog Number | AG000OGQ |
| Chemical Name | 5-bromo-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 5-bromo-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C7H3BrF3N3/c8-3-1-4-5(7(9,10)11)13-14-6(4)12-2-3/h1-2H,(H,12,13,14) |
| InChI Key | TZOMFKMOFVKBIB-UHFFFAOYSA-N |
| MDL Number | MFCD18256944 |
| Molecular Formula | C7H3BrF3N3 |
| Molecular Weight | 266.0180 |
| SMILES | BrC=1C=C2C(=NC1)NN=C2C(F)(F)F |
| Synonyms | 1256826-15-9,
5-bromo-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine,
1H-Pyrazolo[3,4-b]pyridine, 5-bromo-3-(trifluoromethyl)-,
SCHEMBL9904295,
TZOMFKMOFVKBIB-UHFFFAOYSA-N,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.021g/mol |
| Monoisotopic Mass | 264.946g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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