3-(4-Bromo-7-fluoro-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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Basic information
- CAS
2438239-34-8- Standard SMILES
O=C1CCC(N2Cc3c(Br)ccc(F)c3C2=O)C(=O)N1- InChIKey
CTDLBQHVRCGINQ-UHFFFAOYSA-N- Molecular formula
- C13H10BrFN2O3
- Average molar mass
- 341.13 g/mol
- Monoisotopic mass
- 339.98588
Names & identifiers
- Preferred name
- 3-(4-Bromo-7-fluoro-1-oxoisoindolin-2-yl)piperidine-2,6-dione
- IUPAC
- 3-(7-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
- English name
- 3-(4-bromo-7-fluoro-1-oxo-2,3-dihydro-1H-inden-2-yl)piperidine-2,6-dione
- Molecular formula
- C13H10BrFN2O3
- Molecular weight
- 341.13
Names & synonyms
3-(4-Bromo-7-fluoro-1-oxoisoindolin-2-yl)piperidine-2,6-dione2438239-34-8MFCD34576717Lenalidomide-4-Br-7-fluorostarbld0008155SCHEMBL23066094SCHEMBL302708013-(4-bromo-7-fluoro-1-oxo-2,3-dihydro-1H-inden-2-yl)piperidine-2,6-dione3-(4-bromo-7-fluoro-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dioneBP-28363BS-48190SY289289
Show more names
3-(4-Bromo-7-fluoro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
F74389F7814233-(7-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione2,6-Piperidinedione, 3-(4-bromo-7-fluoro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-3-(7-bromanyl-4-fluoranyl-3-oxidanylidene-1H-isoindol-2-yl)piperidine-2,6-dione
Database identifiers
- CAS
2438239-34-8- PubChem CID
- 155906433
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 592.8 · 592.8±50.0 °C(Predicted)
- Density
- 1.743 · 1.743±0.06 g/cm3(Predicted)
- pka
- 10.51 · 10.51±0.40(Predicted)
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Description3-(4-Bromo-7-fluoro-1-oxoisoindolin-2-yl)piperidine-2,6-dione is a derivative of thalidomide with a flouride and bromide groups on the benzyl ring.
UsesLenalidomide-4-Br-7-fluoro is a derivative of Lenalidomide with a flouride and bromide groups on the benzyl ring.
Related reactions
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Compound notes
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