3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione

C11H7Br2NO3 — CID 106695181

IUPAC3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=CC(=O)NC2=O)c(Br)cc1Br
InChIInChI=1S/C11H7Br2NO3/c1-17-9-2-5(7(12)4-8(9)13)6-3-10(15)14-11(6)16/h2-4H,1H3,(H,14,15,16)
InChIKeyLQURJMLKVIMIGA-UHFFFAOYSA-N
MW360.99 g/mol
LogP2.26
Rot. Bonds2

About 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione

3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 106695181) has the molecular formula C11H7Br2NO3 and a molecular weight of 360.99 g/mol. Its IUPAC name is 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione
PubChem CID106695181
Molecular FormulaC11H7Br2NO3
Molecular Weight360.99 g/mol
Exact Mass358.88
IUPAC Name3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=CC(=O)NC2=O)c(Br)cc1Br
InChIInChI=1S/C11H7Br2NO3/c1-17-9-2-5(7(12)4-8(9)13)6-3-10(15)14-11(6)16/h2-4H,1H3,(H,14,15,16)
InChIKeyLQURJMLKVIMIGA-UHFFFAOYSA-N
XLogP2.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.99
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione (CID 106695181) is 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione is COc1cc(C2=CC(=O)NC2=O)c(Br)cc1Br.
What is the InChIKey of 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is LQURJMLKVIMIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO3/c1-17-9-2-5(7(12)4-8(9)13)6-3-10(15)14-11(6)16/h2-4H,1H3,(H,14,15,16).
What are the key properties of 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione?
3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 360.99 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromo-5-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 106695181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).