| CAS Number | 1519846-44-6 |
| Catalog Number | AG00IL3P(AGN-PC-0WNGUV) |
| Chemical Name | 6-chloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 6-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C8H8ClN3/c1-5-6-3-4-7(9)10-8(6)12(2)11-5/h3-4H,1-2H3 |
| InChI Key | MUZLPRZCFVEZCS-UHFFFAOYSA-N |
| MDL Number | MFCD22398834 |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.6222 |
| SMILES | CC1C2=C(N=C(C=C2)Cl)N(C)N=1 |
| Synonyms | 6-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine,
1519846-44-6,
SCHEMBL17673630,
MFCD22398834,
SB17564,
KS-0000065I,
AS-53861,
CS-0050244,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.623g/mol |
| Monoisotopic Mass | 181.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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