3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C13H10BrFN2O3 — CID 164890659

IUPAC3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(Br)cc(F)c3C2=O)C(=O)N1
InChIInChI=1S/C13H10BrFN2O3/c14-7-3-6-5-17(13(20)11(6)8(15)4-7)9-1-2-10(18)16-12(9)19/h3-4,9H,1-2,5H2,(H,16,18,19)
InChIKeyDKCNXXRPRGCRKQ-UHFFFAOYSA-N
MW341.14 g/mol
LogP1.35
Rot. Bonds1

About 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 164890659) has the molecular formula C13H10BrFN2O3 and a molecular weight of 341.14 g/mol. Its IUPAC name is 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID164890659
Molecular FormulaC13H10BrFN2O3
Molecular Weight341.14 g/mol
Exact Mass339.99
IUPAC Name3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(Br)cc(F)c3C2=O)C(=O)N1
InChIInChI=1S/C13H10BrFN2O3/c14-7-3-6-5-17(13(20)11(6)8(15)4-7)9-1-2-10(18)16-12(9)19/h3-4,9H,1-2,5H2,(H,16,18,19)
InChIKeyDKCNXXRPRGCRKQ-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
(R)-Thalidomide
CID 75792
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CID 11859051
5-Bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CID 44435680
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 70876201
3-(4-bromo-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 131986901
3-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 71518077
(+/-)-7-fluoro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 16115148
2-(2,6-dioxopiperidin-3-yl)-5,6-difluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 65968512
4-bromo-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 131999631

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 164890659) is 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc(Br)cc(F)c3C2=O)C(=O)N1.
What is the InChIKey of 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is DKCNXXRPRGCRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O3/c14-7-3-6-5-17(13(20)11(6)8(15)4-7)9-1-2-10(18)16-12(9)19/h3-4,9H,1-2,5H2,(H,16,18,19).
What are the key properties of 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 341.14 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 164890659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).