3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione

C13H11FN2O4 — CID 175801319

IUPAC3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(O)c3ccc(F)cc3c2O)C(=O)N1
InChIInChI=1S/C13H11FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9,19-20H,3-4H2,(H,15,17,18)
InChIKeySGEKCJPOHQLSOL-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.17
Rot. Bonds1

About 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione

3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione (PubChem CID 175801319) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione
PubChem CID175801319
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(O)c3ccc(F)cc3c2O)C(=O)N1
InChIInChI=1S/C13H11FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9,19-20H,3-4H2,(H,15,17,18)
InChIKeySGEKCJPOHQLSOL-UHFFFAOYSA-N
XLogP1.17
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-fluoro-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 160690351
3-(5-fluoro-7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167273533
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroxyisoindol-4-yl]iminoazetidine-3-carboxamide
CID 155044289
3-(7-fluoro-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 10125318
3-(4-amino-1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)piperidine-2,6-dione
CID 123645575
2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole
CID 170056011
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile
CID 91259268
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]urea
CID 90712002
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione (CID 175801319) is 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione is O=C1CCC(n2c(O)c3ccc(F)cc3c2O)C(=O)N1.
What is the InChIKey of 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is SGEKCJPOHQLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9,19-20H,3-4H2,(H,15,17,18).
What are the key properties of 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione?
3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 278.24 g/mol, XLogP of 1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1,3-dihydroxyisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 175801319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).