| CAS Number | 1396779-99-9 |
| Catalog Number | AG001BHE(AGN-PC-0WCXN5) |
| Chemical Name | ethyl 6-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate |
| IUPAC Name | ethyl 6-bromo-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate |
| InChI | InChI=1S/C10H10BrN3O2/c1-3-16-10(15)6-4-7(11)12-9-8(6)5(2)13-14-9/h4H,3H2,1-2H3,(H,12,13,14) |
| InChI Key | VSQRAULZZFPOEY-UHFFFAOYSA-N |
| MDL Number | MFCD27987706 |
| Molecular Formula | C10H10BrN3O2 |
| Molecular Weight | 284.1093 |
| SMILES | BrC=1C=C(C2=C(N1)NN=C2C)C(=O)OCC |
| Synonyms | Ethyl 6-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate,
1396779-99-9,
SCHEMBL12498849,
VSQRAULZZFPOEY-UHFFFAOYSA-N,
KS-000005UQ,
MFCD27987706,
ZINC219653838,
SB14869,
AK173747,
AS-52139,
CS-0049422,
6-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester,
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-bromo-3-methyl-, ethyl ester,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.113g/mol |
| Monoisotopic Mass | 282.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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