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

C19H11N3O4 — CID 132602346

IUPAC2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C19H11N3O4/c23-18-13-5-1-2-6-14(13)19(24)21(18)17-8-4-3-7-15(17)16-10-9-12(11-20-16)22(25)26/h1-11H
InChIKeyJNMGSJNRJGJDNG-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.46
Rot. Bonds3

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

2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione (PubChem CID 132602346) has the molecular formula C19H11N3O4 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione
PubChem CID132602346
Molecular FormulaC19H11N3O4
Molecular Weight345.31 g/mol
Exact Mass345.07
IUPAC Name2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C19H11N3O4/c23-18-13-5-1-2-6-14(13)19(24)21(18)17-8-4-3-7-15(17)16-10-9-12(11-20-16)22(25)26/h1-11H
InChIKeyJNMGSJNRJGJDNG-UHFFFAOYSA-N
XLogP3.46
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 19370940
2-(2-iodo-5-nitrophenyl)isoindole-1,3-dione
CID 168516776
2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
CID 132965088
2-(2-chloro-5-nitrophenyl)isoindole-1,3-dione
CID 677455
5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 71283944
2-(1-benzothiophen-2-yl)-5-nitropyridine
CID 142834832
2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione
CID 3412114
1-(5-nitro-2-pyridinyl)pyridin-2-one
CID 4556084
2-(5-nitro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylate
CID 7123042
2-(5-hydroxynaphthalen-1-yl)-5-nitroisoindole-1,3-dione
CID 101469375
(3E)-3-[(4-nitrophenyl)methylidene]-1-phenylindol-2-one
CID 126204727
2-(2-aminophenyl)isoindole-1,3-dione;hydrate
CID 45045681

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione (CID 132602346) is 2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1-c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione?
The InChIKey is JNMGSJNRJGJDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O4/c23-18-13-5-1-2-6-14(13)19(24)21(18)17-8-4-3-7-15(17)16-10-9-12(11-20-16)22(25)26/h1-11H.
What are the key properties of 2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione?
2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione has a molecular weight of 345.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-nitro-2-pyridinyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 132602346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).