3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile

C15H8N2O3 — CID 168517158

IUPAC3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)cc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H8N2O3/c16-8-9-5-10(7-11(18)6-9)17-14(19)12-3-1-2-4-13(12)15(17)20/h1-7,18H
InChIKeyZWFIBXBCQUJMFF-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.06
Rot. Bonds1

About 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile

3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile (PubChem CID 168517158) has the molecular formula C15H8N2O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile
PubChem CID168517158
Molecular FormulaC15H8N2O3
Molecular Weight264.24 g/mol
Exact Mass264.05
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)cc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H8N2O3/c16-8-9-5-10(7-11(18)6-9)17-14(19)12-3-1-2-4-13(12)15(17)20/h1-7,18H
InChIKeyZWFIBXBCQUJMFF-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

3-(1,3-dioxoisoindol-2-yl)-5-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile
CID 163935756
4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]benzonitrile
CID 765217
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-cyano-4-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 168518996
3-chloro-4-(1,3-dioxoisoindol-2-yl)benzonitrile
CID 107808280
methyl 2-cyano-5-(1,3-dioxoisoindol-2-yl)benzoate
CID 168517112
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)benzonitrile
CID 63303535
2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile
CID 86159862
2-[3-(3-hydroxyprop-1-ynyl)phenyl]isoindole-1,3-dione
CID 60815166
2-(3-bromo-5-chloro-4-hydroxyphenyl)isoindole-1,3-dione
CID 168517011
methylarsonic acid;2-phenylisoindole-1,3-dione
CID 162087395
2-(2,4-dihydroxyphenyl)isoindole-1,3-dione
CID 168516422

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile (CID 168517158) is 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile is N#Cc1cc(O)cc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile?
The InChIKey is ZWFIBXBCQUJMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O3/c16-8-9-5-10(7-11(18)6-9)17-14(19)12-3-1-2-4-13(12)15(17)20/h1-7,18H.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile?
3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile 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 3-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzonitrile is sourced from PubChem (CID 168517158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).