| CAS Number | 1221288-26-1 |
| Catalog Number | AG0016T4(AGN-PC-0WAGCM) |
| Chemical Name | 3-iodo-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid |
| IUPAC Name | 3-iodo-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C7H4IN3O2/c8-5-4-1-3(7(12)13)2-9-6(4)11-10-5/h1-2H,(H,12,13)(H,9,10,11) |
| InChI Key | CUTUNPSLNLUDSY-UHFFFAOYSA-N |
| MDL Number | MFCD17015946 |
| Molecular Formula | C7H4IN3O2 |
| Molecular Weight | 289.0300 |
| SMILES | O=C(O)c1cnc2[nH]nc(I)c2c1 |
| Synonyms | 3-IODO-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID,
1221288-26-1,
KS-000003BM,
2292AJ,
MFCD17015946,
ZINC96125913,
FCH1351978,
PB11218,
AS-51162,
SC-48922,
AJ-138333,
AX8289720,
CS-0051322,
Q-2389,
3-Iodo-1H-pyrazolo[3,4-b]pyridine-5-carboxylic aci,
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 3-iodo-,
C7H4IN3O2,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.032g/mol |
| Monoisotopic Mass | 288.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number