2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione

C21H11N3O4 — CID 555038

IUPAC2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C21H11N3O4/c25-18-12-6-1-2-7-13(12)19(26)23(18)16-10-5-11-17(22-16)24-20(27)14-8-3-4-9-15(14)21(24)28/h1-11H
InChIKeyILSYCXJRQWYBMF-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.68
Rot. Bonds2

About 2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione

2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione (PubChem CID 555038) has the molecular formula C21H11N3O4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
PubChem CID555038
Molecular FormulaC21H11N3O4
Molecular Weight369.34 g/mol
Exact Mass369.07
IUPAC Name2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C21H11N3O4/c25-18-12-6-1-2-7-13(12)19(26)23(18)16-10-5-11-17(22-16)24-20(27)14-8-3-4-9-15(14)21(24)28/h1-11H
InChIKeyILSYCXJRQWYBMF-UHFFFAOYSA-N
XLogP2.68
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione?
The IUPAC name of 2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione (CID 555038) is 2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(N2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione?
The InChIKey is ILSYCXJRQWYBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N3O4/c25-18-12-6-1-2-7-13(12)19(26)23(18)16-10-5-11-17(22-16)24-20(27)14-8-3-4-9-15(14)21(24)28/h1-11H.
What are the key properties of 2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione?
2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione has a molecular weight of 369.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione is sourced from PubChem (CID 555038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).