2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione

C15H9FN2O3 — CID 53403480

IUPAC2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1cccnc1F
InChIInChI=1S/C15H9FN2O3/c16-13-11(6-3-7-17-13)12(19)8-18-14(20)9-4-1-2-5-10(9)15(18)21/h1-7H,8H2
InChIKeyWXOHVFCLWFJVGO-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.70
Rot. Bonds3

About 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 53403480) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID53403480
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1cccnc1F
InChIInChI=1S/C15H9FN2O3/c16-13-11(6-3-7-17-13)12(19)8-18-14(20)9-4-1-2-5-10(9)15(18)21/h1-7H,8H2
InChIKeyWXOHVFCLWFJVGO-UHFFFAOYSA-N
XLogP1.70
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-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

2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 10403400
2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051
2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione
CID 129076171
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 87041147
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-[2-(3-benzoyl-2-pyridinyl)ethyl]isoindole-1,3-dione
CID 23247841
(1,3-dioxoisoindol-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 8895632
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
CID 113201904
N-(2,6-difluorophenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201972
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione (CID 53403480) is 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)c1cccnc1F.
What is the InChIKey of 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is WXOHVFCLWFJVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-13-11(6-3-7-17-13)12(19)8-18-14(20)9-4-1-2-5-10(9)15(18)21/h1-7H,8H2.
What are the key properties of 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 284.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 53403480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).