2-(pyridine-4-carbonyl)isoindole-1,3-dione

C14H8N2O3 — CID 156600138

IUPAC2-(pyridine-4-carbonyl)isoindole-1,3-dione
SMILESO=C(c1ccncc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H8N2O3/c17-12(9-5-7-15-8-6-9)16-13(18)10-3-1-2-4-11(10)14(16)19/h1-8H
InChIKeyQWCKCNNLLFCNGH-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.52
Rot. Bonds1

About 2-(pyridine-4-carbonyl)isoindole-1,3-dione

2-(pyridine-4-carbonyl)isoindole-1,3-dione (PubChem CID 156600138) has the molecular formula C14H8N2O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-(pyridine-4-carbonyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(pyridine-4-carbonyl)isoindole-1,3-dione
PubChem CID156600138
Molecular FormulaC14H8N2O3
Molecular Weight252.23 g/mol
Exact Mass252.05
IUPAC Name2-(pyridine-4-carbonyl)isoindole-1,3-dione
SMILESO=C(c1ccncc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H8N2O3/c17-12(9-5-7-15-8-6-9)16-13(18)10-3-1-2-4-11(10)14(16)19/h1-8H
InChIKeyQWCKCNNLLFCNGH-UHFFFAOYSA-N
XLogP1.52
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorobenzoyl)isoindole-1,3-dione
CID 3643646
(2E)-2-[1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one
CID 139422594
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(2E)-2-[1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one iodide
CID 162310457
2-benzoyl-3-pyridin-4-yl-3,4-dihydroisoquinolin-1-one
CID 134913817
2-methylisoindole-1,3-dione;pyridine
CID 174877202
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108542672
[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
5-phenyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
CID 4068588
N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide
CID 88648969
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
benzamide;pyridine-4-carboxamide
CID 175267661

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonyl)isoindole-1,3-dione?
The IUPAC name of 2-(pyridine-4-carbonyl)isoindole-1,3-dione (CID 156600138) is 2-(pyridine-4-carbonyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(pyridine-4-carbonyl)isoindole-1,3-dione?
The canonical SMILES for 2-(pyridine-4-carbonyl)isoindole-1,3-dione is O=C(c1ccncc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(pyridine-4-carbonyl)isoindole-1,3-dione?
The InChIKey is QWCKCNNLLFCNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O3/c17-12(9-5-7-15-8-6-9)16-13(18)10-3-1-2-4-11(10)14(16)19/h1-8H.
What are the key properties of 2-(pyridine-4-carbonyl)isoindole-1,3-dione?
2-(pyridine-4-carbonyl)isoindole-1,3-dione has a molecular weight of 252.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonyl)isoindole-1,3-dione is sourced from PubChem (CID 156600138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).