2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid

C14H11FN2O5 — CID 167342551

IUPAC2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
SMILESO=C1CCC(N2Cc3cc(C(=O)O)cc(F)c3C2=O)C(=O)N1
InChIInChI=1S/C14H11FN2O5/c15-8-4-6(14(21)22)3-7-5-17(13(20)11(7)8)9-1-2-10(18)16-12(9)19/h3-4,9H,1-2,5H2,(H,21,22)(H,16,18,19)
InChIKeyMTDOCZLVQPJOBZ-UHFFFAOYSA-N
MW306.25 g/mol
LogP0.28
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid

2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid (PubChem CID 167342551) has the molecular formula C14H11FN2O5 and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
PubChem CID167342551
Molecular FormulaC14H11FN2O5
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
SMILESO=C1CCC(N2Cc3cc(C(=O)O)cc(F)c3C2=O)C(=O)N1
InChIInChI=1S/C14H11FN2O5/c15-8-4-6(14(21)22)3-7-5-17(13(20)11(7)8)9-1-2-10(18)16-12(9)19/h3-4,9H,1-2,5H2,(H,21,22)(H,16,18,19)
InChIKeyMTDOCZLVQPJOBZ-UHFFFAOYSA-N
XLogP0.28
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-(trifluoromethyl)-3H-isoindole-5-carboxylic acid
CID 167342426
3-[6-[4-(4-benzhydrylpiperazin-1-yl)piperidine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177163438
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342511
3-[4-fluoro-3-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206397
3-[6-(4-tert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841283
3-(4-fluoro-3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-2-yl)piperidine-2,6-dione
CID 164920128
3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 171545904
(3S)-3-[6-[3-(dimethoxymethyl)cyclobutyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171069824
5-tert-butyl-7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 161388015
3-[6-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine-1-carbonyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170784233
3-(10-fluoro-1-oxo-3,5,6,7,8,9-hexahydropyrrolo[3,4-h][2]benzazepin-2-yl)piperidine-2,6-dione
CID 164920052
3-(4-fluoro-7-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134348219

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid (CID 167342551) is 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid is O=C1CCC(N2Cc3cc(C(=O)O)cc(F)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid?
The InChIKey is MTDOCZLVQPJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O5/c15-8-4-6(14(21)22)3-7-5-17(13(20)11(7)8)9-1-2-10(18)16-12(9)19/h3-4,9H,1-2,5H2,(H,21,22)(H,16,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid?
2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid has a molecular weight of 306.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid is sourced from PubChem (CID 167342551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).