| CAS Number | 2177258-36-3 |
| Catalog Number | AG01FLFF(AGN-PC-3H4B5E) |
| Chemical Name | 5-bromo-3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 5-bromo-3-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C12H14BrN3O/c1-8-10-6-9(13)7-14-12(10)16(15-8)11-4-2-3-5-17-11/h6-7,11H,2-5H2,1H3 |
| InChI Key | ILWNQZZQDXHNCL-UHFFFAOYSA-N |
| MDL Number | MFCD31652280 |
| Molecular Formula | C12H14BrN3O |
| Molecular Weight | 296.1631 |
| SMILES | CC1=NN(C2CCCCO2)C3=NC=C(Br)C=C31 |
| Synonyms | 5-bromo-3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine,
CS-0080180,
2177258-36-3,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.03202g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.16g/mol |
| Monoisotopic Mass | 295.03202g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.9Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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