2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione

C22H15FN2O3 — CID 155390354

IUPAC2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/C=C/c1cccnc1C(O)c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O3/c23-16-9-7-15(8-10-16)20(26)19-14(4-3-12-24-19)11-13-25-21(27)17-5-1-2-6-18(17)22(25)28/h1-13,20,26H/b13-11+
InChIKeyODFWYTBGTGDXQX-ACCUITESSA-N
MW374.37 g/mol
LogP3.57
Rot. Bonds4

About 2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione

2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione (PubChem CID 155390354) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione
PubChem CID155390354
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/C=C/c1cccnc1C(O)c1ccc(F)cc1
InChIInChI=1S/C22H15FN2O3/c23-16-9-7-15(8-10-16)20(26)19-14(4-3-12-24-19)11-13-25-21(27)17-5-1-2-6-18(17)22(25)28/h1-13,20,26H/b13-11+
InChIKeyODFWYTBGTGDXQX-ACCUITESSA-N
XLogP3.57
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
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-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione (CID 155390354) is 2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/C=C/c1cccnc1C(O)c1ccc(F)cc1.
What is the InChIKey of 2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione?
The InChIKey is ODFWYTBGTGDXQX-ACCUITESSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-16-9-7-15(8-10-16)20(26)19-14(4-3-12-24-19)11-13-25-21(27)17-5-1-2-6-18(17)22(25)28/h1-13,20,26H/b13-11+.
What are the key properties of 2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione?
2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione has a molecular weight of 374.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-[(4-fluorophenyl)-hydroxymethyl]-3-pyridinyl]ethenyl]isoindole-1,3-dione is sourced from PubChem (CID 155390354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).