2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione

C19H11FN2O3 — CID 46908122

IUPAC2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(F)cc(Oc2cccnc2)c1
InChIInChI=1S/C19H11FN2O3/c20-12-8-13(10-15(9-12)25-14-4-3-7-21-11-14)22-18(23)16-5-1-2-6-17(16)19(22)24/h1-11H
InChIKeyJAZZEFQCRQLXCJ-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.81
Rot. Bonds3

About 2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione

2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione (PubChem CID 46908122) has the molecular formula C19H11FN2O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione
PubChem CID46908122
Molecular FormulaC19H11FN2O3
Molecular Weight334.31 g/mol
Exact Mass334.08
IUPAC Name2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(F)cc(Oc2cccnc2)c1
InChIInChI=1S/C19H11FN2O3/c20-12-8-13(10-15(9-12)25-14-4-3-7-21-11-14)22-18(23)16-5-1-2-6-17(16)19(22)24/h1-11H
InChIKeyJAZZEFQCRQLXCJ-UHFFFAOYSA-N
XLogP3.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.81
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-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione (CID 46908122) is 2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(F)cc(Oc2cccnc2)c1.
What is the InChIKey of 2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione?
The InChIKey is JAZZEFQCRQLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O3/c20-12-8-13(10-15(9-12)25-14-4-3-7-21-11-14)22-18(23)16-5-1-2-6-17(16)19(22)24/h1-11H.
What are the key properties of 2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione?
2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione has a molecular weight of 334.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 46908122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).