3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione

C10H6BrNO3 — CID 54682884

IUPAC3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(Br)cc2)=C1O
InChIInChI=1S/C10H6BrNO3/c11-6-3-1-5(2-4-6)7-8(13)10(15)12-9(7)14/h1-4H,(H2,12,13,14,15)
InChIKeyXDDDFFNYDKKBML-UHFFFAOYSA-N
MW268.07 g/mol
LogP1.37
Rot. Bonds1

About 3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione

3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 54682884) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID54682884
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(Br)cc2)=C1O
InChIInChI=1S/C10H6BrNO3/c11-6-3-1-5(2-4-6)7-8(13)10(15)12-9(7)14/h1-4H,(H2,12,13,14,15)
InChIKeyXDDDFFNYDKKBML-UHFFFAOYSA-N
XLogP1.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 51.37
H-Bond Donors ≤ 52
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-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione (CID 54682884) is 3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione is O=C1NC(=O)C(c2ccc(Br)cc2)=C1O.
What is the InChIKey of 3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is XDDDFFNYDKKBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-6-3-1-5(2-4-6)7-8(13)10(15)12-9(7)14/h1-4H,(H2,12,13,14,15).
What are the key properties of 3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione?
3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 268.07 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 54682884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).