1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile

C14H7N3O3 — CID 175884230

IUPAC1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile
SMILESN#Cc1cccc(=O)n1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H7N3O3/c15-8-9-4-3-7-12(18)16(9)17-13(19)10-5-1-2-6-11(10)14(17)20/h1-7H
InChIKeyAUYODYDVHJAQCH-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.65
Rot. Bonds1

About 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile

1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile (PubChem CID 175884230) has the molecular formula C14H7N3O3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile.

Molecular Properties

Compound Name1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile
PubChem CID175884230
Molecular FormulaC14H7N3O3
Molecular Weight265.23 g/mol
Exact Mass265.05
IUPAC Name1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile
SMILESN#Cc1cccc(=O)n1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H7N3O3/c15-8-9-4-3-7-12(18)16(9)17-13(19)10-5-1-2-6-11(10)14(17)20/h1-7H
InChIKeyAUYODYDVHJAQCH-UHFFFAOYSA-N
XLogP0.65
TPSA83.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.65
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 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile?
The IUPAC name of 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile (CID 175884230) is 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile.
What is the SMILES notation for 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile?
The canonical SMILES for 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile is N#Cc1cccc(=O)n1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile?
The InChIKey is AUYODYDVHJAQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3O3/c15-8-9-4-3-7-12(18)16(9)17-13(19)10-5-1-2-6-11(10)14(17)20/h1-7H.
What are the key properties of 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile?
1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile has a molecular weight of 265.23 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxoisoindol-2-yl)-6-oxopyridine-2-carbonitrile is sourced from PubChem (CID 175884230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).