2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione

C21H15FN2O3 — CID 59761352

IUPAC2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C21H15FN2O3/c22-18-8-4-3-7-17(18)19-10-9-14(13-23-19)27-12-11-24-20(25)15-5-1-2-6-16(15)21(24)26/h1-10,13H,11-12H2
InChIKeyDTGQOSTXJPPFOQ-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.56
Rot. Bonds5

About 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione

2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione (PubChem CID 59761352) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione
PubChem CID59761352
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C21H15FN2O3/c22-18-8-4-3-7-17(18)19-10-9-14(13-23-19)27-12-11-24-20(25)15-5-1-2-6-16(15)21(24)26/h1-10,13H,11-12H2
InChIKeyDTGQOSTXJPPFOQ-UHFFFAOYSA-N
XLogP3.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione (CID 59761352) is 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOc1ccc(-c2ccccc2F)nc1.
What is the InChIKey of 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione?
The InChIKey is DTGQOSTXJPPFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-18-8-4-3-7-17(18)19-10-9-14(13-23-19)27-12-11-24-20(25)15-5-1-2-6-16(15)21(24)26/h1-10,13H,11-12H2.
What are the key properties of 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione?
2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione has a molecular weight of 362.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 59761352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).