| CAS Number | 916326-80-2 |
| Catalog Number | AG00IGSY(AGN-PC-0WCKHA) |
| Chemical Name | methyl 5-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylate |
| IUPAC Name | methyl 5-bromo-1-methylpyrazolo[3,4-b]pyridine-3-carboxylate |
| InChI | InChI=1S/C9H8BrN3O2/c1-13-8-6(3-5(10)4-11-8)7(12-13)9(14)15-2/h3-4H,1-2H3 |
| InChI Key | GGILHBFZRKBNSR-UHFFFAOYSA-N |
| MDL Number | MFCD17016022 |
| Molecular Formula | C9H8BrN3O2 |
| Molecular Weight | 270.0827 |
| SMILES | O=C(C1=NN(C)C2=NC=C(Br)C=C21)OC |
| Synonyms | METHYL 5-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBOXYLATE,
916326-80-2,
Methyl 5-bromo-1-methyl-1H-pyrazolo-[3,4-b]pyridine-3-carboxylate,
SCHEMBL4041434,
GGILHBFZRKBNSR-UHFFFAOYSA-N,
MFCD17016022,
ZINC95707763,
PB22846,
AK173901,
AS-51176,
CS-0049001,
Q-3135,
5-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid methyl ester,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.086g/mol |
| Monoisotopic Mass | 268.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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