| CAS Number | 63725-52-0 |
| Catalog Number | AG00F66O(AGN-PC-0OED0H) |
| Chemical Name | 6-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 6-chloro-1-methylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C7H6ClN3/c1-11-7-5(4-9-11)2-3-6(8)10-7/h2-4H,1H3 |
| InChI Key | WQYAKZVLTOWKQB-UHFFFAOYSA-N |
| MDL Number | MFCD22398833 |
| Molecular Formula | C7H6ClN3 |
| Molecular Weight | 167.5956 |
| SMILES | CN1N=CC2=CC=C(Cl)N=C21 |
| Synonyms | 63725-52-0,
6-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine,
6-Chloro-1-methylpyrazolo[5,4-b]pyridine,
1H-Pyrazolo[3,4-b]pyridine, 6-chloro-1-methyl-,
SCHEMBL15525119,
KS-000004FS,
MFCD22398833,
ZINC84229914,
AKOS023398655,
ACN-049321,
SB11575,
AS-51641,
6-chloro-1-methylpyrazolo[3,4-b]pyridine,
CS-0050233,
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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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.596g/mol |
| Monoisotopic Mass | 167.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number