| CAS Number | 1256826-72-8 |
| Catalog Number | AG000OGN(AGN-PC-0WCKCL) |
| Chemical Name | 1H-Pyrazolo[3,4-b]pyridine, 6-chloro-3-methyl- |
| IUPAC Name | 6-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C7H6ClN3/c1-4-5-2-3-6(8)9-7(5)11-10-4/h2-3H,1H3,(H,9,10,11) |
| InChI Key | OBNHCZMUCHGNBW-UHFFFAOYSA-N |
| MDL Number | MFCD18256943 |
| Molecular Formula | C7H6ClN3 |
| Molecular Weight | 167.5956 |
| SMILES | CC1=NNC2=NC(Cl)=CC=C21 |
| Synonyms | 6-CHLORO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE,
1256826-72-8,
1H-PYRAZOLO[3,4-B]PYRIDINE, 6-CHLORO-3-METHYL-,
SCHEMBL11975949,
KS-000006SW,
MFCD18256943,
ZINC84229592,
FCH1156355,
PB33421,
AK172019,
AS-34382,
AX8264015,
ST1171158,
CS-0050228,
6-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine,
Q-1959,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.596g/mol |
| Monoisotopic Mass | 167.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number