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

C18H14FN3O3 — CID 171545904

IUPAC3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4ccccn4)cc(F)c3C2=O)C(=O)N1
InChIInChI=1S/C18H14FN3O3/c19-12-8-10(13-3-1-2-6-20-13)7-11-9-22(18(25)16(11)12)14-4-5-15(23)21-17(14)24/h1-3,6-8,14H,4-5,9H2,(H,21,23,24)
InChIKeyPBJXBRYEGJSYCW-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.65
Rot. Bonds2

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

3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 171545904) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID171545904
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4ccccn4)cc(F)c3C2=O)C(=O)N1
InChIInChI=1S/C18H14FN3O3/c19-12-8-10(13-3-1-2-6-20-13)7-11-9-22(18(25)16(11)12)14-4-5-15(23)21-17(14)24/h1-3,6-8,14H,4-5,9H2,(H,21,23,24)
InChIKeyPBJXBRYEGJSYCW-UHFFFAOYSA-N
XLogP1.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

ethane;3-(4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-(4-methylphenyl)pyridine
CID 176977763
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate
CID 170781353
2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
CID 167342551
3-[6-[[4-(dipyridin-4-ylmethyl)piperazin-1-yl]methyl]-4-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171829038
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
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-[5-(2-fluorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577678
(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione
CID 164920226
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-[2-(2-fluorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075791
3-[6-(5-benzyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174263331

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione (CID 171545904) is 3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4ccccn4)cc(F)c3C2=O)C(=O)N1.
What is the InChIKey of 3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is PBJXBRYEGJSYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-12-8-10(13-3-1-2-6-20-13)7-11-9-22(18(25)16(11)12)14-4-5-15(23)21-17(14)24/h1-3,6-8,14H,4-5,9H2,(H,21,23,24).
What are the key properties of 3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 339.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-oxo-6-pyridin-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 171545904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).