5-chloro-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(I)c3c(C=O)c(Cl)cnc32)cc1- InChIKey
CJUPZBMDTXUPHX-UHFFFAOYSA-N- Molecular formula
- C15H10ClIN2O3S
- Average molar mass
- 460.7 g/mol
Names & identifiers
- Preferred name
- 5-chloro-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
- IUPAC
- 5-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carbaldehyde
Names & synonyms
SCHEMBL1949653CJUPZBMDTXUPHX-UHFFFAOYSA-N5-chloro-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
Database identifiers
- PubChem CID
- 58293441
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 547
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Related reactions
5 records
Compound notes
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