| CAS Number | 1256957-72-8 |
| Catalog Number | AG00A04H(AGN-PC-0WNP03) |
| Chemical Name | 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C11H12BrN3O/c12-9-5-8-6-14-15(11(8)13-7-9)10-3-1-2-4-16-10/h5-7,10H,1-4H2 |
| InChI Key | HTQOXVPILZLCSJ-UHFFFAOYSA-N |
| MDL Number | MFCD22689759 |
| Molecular Formula | C11H12BrN3O |
| Molecular Weight | 282.1365 |
| SMILES | BrC1=CN=C2N(N=CC2=C1)C1CCCCO1 |
| Synonyms | 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine,
1256957-72-8,
SCHEMBL856346,
HTQOXVPILZLCSJ-UHFFFAOYSA-N,
MFCD22689759,
AS-41042,
5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4- b]pyridine,
5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine, 95% - 1G 1g,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.141g/mol |
| Monoisotopic Mass | 281.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number