4-pyridin-4-ylisoindole-1,3-dione

C13H8N2O2 — CID 152780944

IUPAC4-pyridin-4-ylisoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2-c1ccncc1
InChIInChI=1S/C13H8N2O2/c16-12-10-3-1-2-9(11(10)13(17)15-12)8-4-6-14-7-5-8/h1-7H,(H,15,16,17)
InChIKeyCRNLDNDDUYBERZ-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.63
Rot. Bonds1

About 4-pyridin-4-ylisoindole-1,3-dione

4-pyridin-4-ylisoindole-1,3-dione (PubChem CID 152780944) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-pyridin-4-ylisoindole-1,3-dione.

Molecular Properties

Compound Name4-pyridin-4-ylisoindole-1,3-dione
PubChem CID152780944
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name4-pyridin-4-ylisoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2-c1ccncc1
InChIInChI=1S/C13H8N2O2/c16-12-10-3-1-2-9(11(10)13(17)15-12)8-4-6-14-7-5-8/h1-7H,(H,15,16,17)
InChIKeyCRNLDNDDUYBERZ-UHFFFAOYSA-N
XLogP1.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydrazine;4-hydroxyisoindole-1,3-dione
CID 172812376
4-(cyclobuten-1-yl)isoindole-1,3-dione
CID 158098721
4-[3-(1,3-dioxoisoindol-4-yl)-2,4-dimethylphenyl]isoindole-1,3-dione
CID 142702251
4-(3-hydroxypropyl)isoindole-1,3-dione
CID 18673592
4-methylsulfinylisoindole-1,3-dione
CID 174315291
4-nitroisoindole-1,3-dione
CID 11779
4-cyclopropylisoindole-1,3-dione
CID 54298107
5-aminoisoquinoline-1,3,4-trione
CID 163708538
CID 158403573
CID 158403573
lithium isoindole-1,3-dione
CID 18764300
hydron;isoindole-1,3-dione
CID 174301362
isoindole-1,3-dione;phosphane
CID 89428738

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylisoindole-1,3-dione?
The IUPAC name of 4-pyridin-4-ylisoindole-1,3-dione (CID 152780944) is 4-pyridin-4-ylisoindole-1,3-dione.
What is the SMILES notation for 4-pyridin-4-ylisoindole-1,3-dione?
The canonical SMILES for 4-pyridin-4-ylisoindole-1,3-dione is O=C1NC(=O)c2c1cccc2-c1ccncc1.
What is the InChIKey of 4-pyridin-4-ylisoindole-1,3-dione?
The InChIKey is CRNLDNDDUYBERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-12-10-3-1-2-9(11(10)13(17)15-12)8-4-6-14-7-5-8/h1-7H,(H,15,16,17).
What are the key properties of 4-pyridin-4-ylisoindole-1,3-dione?
4-pyridin-4-ylisoindole-1,3-dione has a molecular weight of 224.22 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylisoindole-1,3-dione is sourced from PubChem (CID 152780944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).