5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione

C19H11N3O5 — CID 1103266

IUPAC5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccnc1
InChIInChI=1S/C19H11N3O5/c23-18-16-7-6-15(27-14-5-1-3-12(9-14)22(25)26)10-17(16)19(24)21(18)13-4-2-8-20-11-13/h1-11H
InChIKeyJZOYETVYQMJSPM-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.58
Rot. Bonds4

About 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione

5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione (PubChem CID 1103266) has the molecular formula C19H11N3O5 and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione
PubChem CID1103266
Molecular FormulaC19H11N3O5
Molecular Weight361.31 g/mol
Exact Mass361.07
IUPAC Name5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccnc1
InChIInChI=1S/C19H11N3O5/c23-18-16-7-6-15(27-14-5-1-3-12(9-14)22(25)26)10-17(16)19(24)21(18)13-4-2-8-20-11-13/h1-11H
InChIKeyJZOYETVYQMJSPM-UHFFFAOYSA-N
XLogP3.58
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.58
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'}

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Related Compounds

5-(4-Methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione
CID 1296770
5-(3-Nitrophenoxy)-2-pyridin-2-ylisoindole-1,3-dione
CID 1381051
5-(4-nitrophenoxy)-2-(pyridin-4-yl)-1H-isoindole-1,3(2H)-dione
CID 1043499
[3-[1,3-Dioxo-5-(pyridin-3-ylcarbamoyl)isoindol-2-yl]phenyl] acetate
CID 1249082
2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-1H-isoindol-1,3(2H)-dione
CID 46908122
2-[(E)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]isoindole-1,3-dione
CID 5346127
[4-[(5-Nitro-2-pyridyl)oxy]phenyl]-phenyl-methanone
CID 511929
5-(3-Nitrophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
CID 1365291
(2-Methyl-1,3-dioxoisoindol-5-yl) 3-pyridin-4-ylpropanoate
CID 49798821
5-(4-Aminophenoxy)-2-(pyridin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione
CID 3576433
2-(Pyridin-2-ylmethyl)-5-(trifluoromethoxy)isoindole-1,3-dione
CID 44138250
5-(4-Nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione
CID 1103264

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione?
The IUPAC name of 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione (CID 1103266) is 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione?
The canonical SMILES for 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione is O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccnc1.
What is the InChIKey of 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione?
The InChIKey is JZOYETVYQMJSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O5/c23-18-16-7-6-15(27-14-5-1-3-12(9-14)22(25)26)10-17(16)19(24)21(18)13-4-2-8-20-11-13/h1-11H.
What are the key properties of 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione?
5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione has a molecular weight of 361.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenoxy)-2-pyridin-3-ylisoindole-1,3-dione is sourced from PubChem (CID 1103266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).