2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione

C15H11BrN2O3 — CID 126469357

IUPAC2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccc(Br)cn1
InChIInChI=1S/C15H11BrN2O3/c16-10-5-6-13(17-9-10)21-8-7-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-6,9H,7-8H2
InChIKeyXDEVASQCZZTMHV-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.52
Rot. Bonds4

About 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione

2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione (PubChem CID 126469357) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione
PubChem CID126469357
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccc(Br)cn1
InChIInChI=1S/C15H11BrN2O3/c16-10-5-6-13(17-9-10)21-8-7-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-6,9H,7-8H2
InChIKeyXDEVASQCZZTMHV-UHFFFAOYSA-N
XLogP2.52
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[2-[2-[2-[4-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]isoindole-1,3-dione
CID 166690607
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[[1-(5-bromopyrimidin-2-yl)piperidin-4-ylidene]amino]oxyethyl]isoindole-1,3-dione
CID 126562173
2-[4-(5-bromo-2-methylphenoxy)butyl]isoindole-1,3-dione
CID 155920684
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
2-[4-(4-bromo-2-methoxyphenoxy)butyl]isoindole-1,3-dione
CID 155920686
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzonitrile
CID 934406
2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione
CID 143066752

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione (CID 126469357) is 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOc1ccc(Br)cn1.
What is the InChIKey of 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione?
The InChIKey is XDEVASQCZZTMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-10-5-6-13(17-9-10)21-8-7-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-6,9H,7-8H2.
What are the key properties of 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione?
2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione has a molecular weight of 347.17 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 126469357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).