| CAS Number | 1352396-72-5 |
| Catalog Number | AG00HTZ4(AGN-PC-0WR2SI) |
| Chemical Name | 3-Iodo-6-methyl-1H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 3-iodo-6-methyl-2H-pyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C7H6IN3/c1-4-2-3-5-6(8)10-11-7(5)9-4/h2-3H,1H3,(H,9,10,11) |
| InChI Key | UXVNENKDYVXQSY-UHFFFAOYSA-N |
| MDL Number | MFCD20923266 |
| Molecular Formula | C7H6IN3 |
| Molecular Weight | 259.0471 |
| SMILES | IC1=NNC2=NC(=CC=C21)C |
| Synonyms | 3-Iodo-6-methyl-1H-pyrazolo[3,4-b]pyridine,
1352396-72-5,
1H-Pyrazolo[3,4-b]pyridine, 3-iodo-6-methyl-,
SCHEMBL12525866,
UXVNENKDYVXQSY-UHFFFAOYSA-N,
ZINC96321027,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.05g/mol |
| Monoisotopic Mass | 258.961g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number