| CAS Number | 1353637-44-1 |
| Catalog Number | AG009JV1(AGN-PC-0JF3S9) |
| Chemical Name | 6-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[4,3-c]pyridine |
| IUPAC Name | 6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine |
| InChI | InChI=1S/C11H12ClN3O/c12-10-5-9-8(6-13-10)7-14-15(9)11-3-1-2-4-16-11/h5-7,11H,1-4H2 |
| InChI Key | OUIMHYFRCMWCEA-UHFFFAOYSA-N |
| MDL Number | MFCD20926787 |
| Molecular Formula | C11H12ClN3O |
| Molecular Weight | 237.6855 |
| SMILES | ClC1=CC2=C(C=N1)C=NN2C2OCCCC2 |
| Synonyms | 6-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[4,3-c]pyridine,
1353637-44-1,
6-Chloro-1-(oxan-2-yl)-1H-pyrazolo[4,3-c]pyridine,
SCHEMBL15401364,
DTXSID20855635,
OUIMHYFRCMWCEA-UHFFFAOYSA-N,
6318AA,
MFCD20926787,
QC-182,
AKOS016000394,
AK118918,
AX8244334,
CS-0060810,
6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine,
C11H12ClN3O,
RR82,
|
| 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 | 2.2 |
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Certificate of Analysis
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