2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione

C14H11FN2O5 — CID 90687936

IUPAC2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(C1(F)CC(=O)C(O)NC1=O)C2=O
InChIInChI=1S/C14H11FN2O5/c1-6-3-2-4-7-9(6)12(21)17(11(7)20)14(15)5-8(18)10(19)16-13(14)22/h2-4,10,19H,5H2,1H3,(H,16,22)
InChIKeyKTNDIRJAJFZYLM-UHFFFAOYSA-N
MW306.25 g/mol
LogP-0.34
Rot. Bonds1

About 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione

2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione (PubChem CID 90687936) has the molecular formula C14H11FN2O5 and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
PubChem CID90687936
Molecular FormulaC14H11FN2O5
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(C1(F)CC(=O)C(O)NC1=O)C2=O
InChIInChI=1S/C14H11FN2O5/c1-6-3-2-4-7-9(6)12(21)17(11(7)20)14(15)5-8(18)10(19)16-13(14)22/h2-4,10,19H,5H2,1H3,(H,16,22)
InChIKeyKTNDIRJAJFZYLM-UHFFFAOYSA-N
XLogP-0.34
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91346708
2-(3-fluoro-5-hydroxy-2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
CID 22241221
N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91166963
2-hydroxy-4-methylisoindole-1,3-dione
CID 15893222
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
4-methyl-2-(oxolan-2-yl)isoindole-1,3-dione
CID 154376966
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
CID 64686613
2-dihydroxyphosphinothioyl-4-methylisoindole-1,3-dione
CID 21445678
4-(4-methyl-3-methylidene-1-oxoisoindol-2-yl)cyclohexane-1,3-dione
CID 159073499
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
3,3-difluoro-2,7-dimethylisoindol-1-one
CID 138533359

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione?
The IUPAC name of 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione (CID 90687936) is 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione?
The canonical SMILES for 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione is Cc1cccc2c1C(=O)N(C1(F)CC(=O)C(O)NC1=O)C2=O.
What is the InChIKey of 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione?
The InChIKey is KTNDIRJAJFZYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O5/c1-6-3-2-4-7-9(6)12(21)17(11(7)20)14(15)5-8(18)10(19)16-13(14)22/h2-4,10,19H,5H2,1H3,(H,16,22).
What are the key properties of 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione?
2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione has a molecular weight of 306.25 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione is sourced from PubChem (CID 90687936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).