Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)n1ncc2c(I)ccnc21- InChIKey
OTXAWGVUGHKCNS-UHFFFAOYSA-N- Molecular formula
- C12H8IN3O2S
- Average molar mass
- 385.18 g/mol
Names & identifiers
- Preferred name
- 4-Iodo-1-(phenylsulfonyl)-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 1-(benzenesulfonyl)-4-iodopyrazolo[3,4-b]pyridine
Names & synonyms
SCHEMBL2212878OTXAWGVUGHKCNS-UHFFFAOYSA-N4-Iodo-1-(phenylsulfonyl)-1H-pyrazolo[3,4-b]pyridine
Database identifiers
- PubChem CID
- 67318947
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 419
Related reactions
2 records
Compound notes
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