3-(5-bromoisoindol-2-yl)piperidine-2,6-dione

C13H11BrN2O2 — CID 91547260

IUPAC3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc3ccc(Br)cc3c2)C(=O)N1
InChIInChI=1S/C13H11BrN2O2/c14-10-2-1-8-6-16(7-9(8)5-10)11-3-4-12(17)15-13(11)18/h1-2,5-7,11H,3-4H2,(H,15,17,18)
InChIKeyJWAAFOBHTGLPFL-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.38
Rot. Bonds1

About 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione

3-(5-bromoisoindol-2-yl)piperidine-2,6-dione (PubChem CID 91547260) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
PubChem CID91547260
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name3-(5-bromoisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc3ccc(Br)cc3c2)C(=O)N1
InChIInChI=1S/C13H11BrN2O2/c14-10-2-1-8-6-16(7-9(8)5-10)11-3-4-12(17)15-13(11)18/h1-2,5-7,11H,3-4H2,(H,15,17,18)
InChIKeyJWAAFOBHTGLPFL-UHFFFAOYSA-N
XLogP2.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione
CID 167470600
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
CID 135273234
(3S)-3-(5-bromoisoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 67019695
3-(7-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 142596935
3-(4-bromo-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
CID 175556384
3-[5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-4,6-difluoroisoindol-2-yl]piperidine-2,6-dione
CID 175880196
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione (CID 91547260) is 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione is O=C1CCC(n2cc3ccc(Br)cc3c2)C(=O)N1.
What is the InChIKey of 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is JWAAFOBHTGLPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-10-2-1-8-6-16(7-9(8)5-10)11-3-4-12(17)15-13(11)18/h1-2,5-7,11H,3-4H2,(H,15,17,18).
What are the key properties of 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione?
3-(5-bromoisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 307.15 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromoisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 91547260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).