2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione

C26H17N3O5 — CID 155192143

IUPAC2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1
InChIInChI=1S/C26H17N3O5/c30-25-22-6-1-2-7-23(22)26(31)28(25)16-17-4-3-5-19(14-17)18-8-11-21(12-9-18)34-24-13-10-20(15-27-24)29(32)33/h1-15H,16H2
InChIKeyVLWBEIPYESEVHV-UHFFFAOYSA-N
MW451.44 g/mol
LogP5.25
Rot. Bonds6

About 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione

2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione (PubChem CID 155192143) has the molecular formula C26H17N3O5 and a molecular weight of 451.44 g/mol. Its IUPAC name is 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione
PubChem CID155192143
Molecular FormulaC26H17N3O5
Molecular Weight451.44 g/mol
Exact Mass451.12
IUPAC Name2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1
InChIInChI=1S/C26H17N3O5/c30-25-22-6-1-2-7-23(22)26(31)28(25)16-17-4-3-5-19(14-17)18-8-11-21(12-9-18)34-24-13-10-20(15-27-24)29(32)33/h1-15H,16H2
InChIKeyVLWBEIPYESEVHV-UHFFFAOYSA-N
XLogP5.25
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione (CID 155192143) is 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccc(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1.
What is the InChIKey of 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione?
The InChIKey is VLWBEIPYESEVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O5/c30-25-22-6-1-2-7-23(22)26(31)28(25)16-17-4-3-5-19(14-17)18-8-11-21(12-9-18)34-24-13-10-20(15-27-24)29(32)33/h1-15H,16H2.
What are the key properties of 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione?
2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione has a molecular weight of 451.44 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 155192143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).