| CAS Number | 1416713-35-3 |
| Catalog Number | AG001GUB(AGN-PC-0WCL8N) |
| Chemical Name | 1H-Pyrazolo[3,4-b]pyridine, 3-chloro-1-(tetrahydro-2H-pyran-2-yl)- |
| IUPAC Name | 3-chloro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C11H12ClN3O/c12-10-8-4-3-6-13-11(8)15(14-10)9-5-1-2-7-16-9/h3-4,6,9H,1-2,5,7H2 |
| InChI Key | ZZQKCJGYBPSTKZ-UHFFFAOYSA-N |
| MDL Number | MFCD22689897 |
| Molecular Formula | C11H12ClN3O |
| Molecular Weight | 237.6855 |
| SMILES | ClC1=NN(C2=NC=CC=C21)C2OCCCC2 |
| Synonyms | 1416713-35-3,
3-chloro-1-(oxan-2-yl)-1H-pyrazolo[3,4-b]pyridine,
3-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine,
MFCD22689897,
KS-0000081O,
AK171765,
AS-51742,
CS-0051426,
1H-Pyrazolo[3,4-b]pyridine, 3-chloro-1-(tetrahydro-2H-pyran-2-yl)-,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.687g/mol |
| Monoisotopic Mass | 237.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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