2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile

C15H8N2O3 — CID 86159862

IUPAC2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile
SMILESN#Cc1ccccc1N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C15H8N2O3/c16-8-9-3-1-2-4-13(9)17-14(19)11-6-5-10(18)7-12(11)15(17)20/h1-7,18H
InChIKeyLTJDSXCEXJEYIU-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.06
Rot. Bonds1

About 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile

2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile (PubChem CID 86159862) has the molecular formula C15H8N2O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile
PubChem CID86159862
Molecular FormulaC15H8N2O3
Molecular Weight264.24 g/mol
Exact Mass264.05
IUPAC Name2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile
SMILESN#Cc1ccccc1N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C15H8N2O3/c16-8-9-3-1-2-4-13(9)17-14(19)11-6-5-10(18)7-12(11)15(17)20/h1-7,18H
InChIKeyLTJDSXCEXJEYIU-UHFFFAOYSA-N
XLogP2.06
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dihydroxyphenyl)isoindole-1,3-dione
CID 168516422
2-(1,3-dioxo-4H-isoquinolin-2-yl)benzonitrile
CID 43089357
5-(1,3-dioxoisoindol-2-yl)-2,4-dimethylbenzonitrile
CID 168518990
2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 746439
5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 19370940
2-(2-hydroxyphenyl)-5-(2-phenylethynyl)isoindole-1,3-dione
CID 139971344
2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid
CID 61406083
2-(3-methyl-2,5-dioxopyrrol-1-yl)benzonitrile
CID 43236196
4-hydroxy-2-phenylbenzonitrile
CID 66882443
2-chloro-4-(1,3-dioxoisoindol-2-yl)-5-iodobenzonitrile
CID 168519216
5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione
CID 19793988
3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile
CID 168517158

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile?
The IUPAC name of 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile (CID 86159862) is 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile.
What is the SMILES notation for 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile?
The canonical SMILES for 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile is N#Cc1ccccc1N1C(=O)c2ccc(O)cc2C1=O.
What is the InChIKey of 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile?
The InChIKey is LTJDSXCEXJEYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O3/c16-8-9-3-1-2-4-13(9)17-14(19)11-6-5-10(18)7-12(11)15(17)20/h1-7,18H.
What are the key properties of 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile?
2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile has a molecular weight of 264.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile is sourced from PubChem (CID 86159862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).