| CAS Number | 1016721-67-7 |
| Catalog Number | AG01ACBH(AGN-PC-0WO4DJ) |
| Chemical Name | 5-bromo-1-ethyl-1H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 5-bromo-1-ethylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C8H8BrN3/c1-2-12-8-6(4-11-12)3-7(9)5-10-8/h3-5H,2H2,1H3 |
| InChI Key | FYPGAFJOOQMJBF-UHFFFAOYSA-N |
| MDL Number | MFCD09932042 |
| Molecular Formula | C8H8BrN3 |
| Molecular Weight | 226.0732 |
| SMILES | CCN1C2=C(C=C(C=N2)Br)C=N1 |
| Synonyms | 5-bromo-1-ethyl-1H-pyrazolo[3,4-b]pyridine,
1016721-67-7,
ZINC19433880,
AKOS000175302,
MCULE-9469564466,
NE53175,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.077g/mol |
| Monoisotopic Mass | 224.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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