Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c(I)c(F)cnc32)cc1- InChIKey
PTDRHPXWIAQDKG-UHFFFAOYSA-N- Molecular formula
- C14H10FIN2O2S
- Average molar mass
- 416.21 g/mol
Names & identifiers
- Preferred name
- 5-fluoro-4-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 5-fluoro-4-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Names & synonyms
SCHEMBL1356125PTDRHPXWIAQDKG-UHFFFAOYSA-N5-fluoro-4-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- PubChem CID
- 67003454
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 476
Related reactions
1 records
Compound notes
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