4,5-dibromofuran-2-carbaldehyde

C5H2Br2O2 — CID 1085228

IUPAC4,5-dibromofuran-2-carbaldehyde
SMILESO=Cc1cc(Br)c(Br)o1
InChIInChI=1S/C5H2Br2O2/c6-4-1-3(2-8)9-5(4)7/h1-2H
InChIKeyCRHHCCZDQZBLPL-UHFFFAOYSA-N
MW253.88 g/mol
LogP2.62
Rot. Bonds1

About 4,5-dibromofuran-2-carbaldehyde

4,5-dibromofuran-2-carbaldehyde (PubChem CID 1085228) has the molecular formula C5H2Br2O2 and a molecular weight of 253.88 g/mol. Its IUPAC name is 4,5-dibromofuran-2-carbaldehyde.

Molecular Properties

Compound Name4,5-dibromofuran-2-carbaldehyde
PubChem CID1085228
Molecular FormulaC5H2Br2O2
Molecular Weight253.88 g/mol
Exact Mass251.84
IUPAC Name4,5-dibromofuran-2-carbaldehyde
SMILESO=Cc1cc(Br)c(Br)o1
InChIInChI=1S/C5H2Br2O2/c6-4-1-3(2-8)9-5(4)7/h1-2H
InChIKeyCRHHCCZDQZBLPL-UHFFFAOYSA-N
XLogP2.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.88
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromofuran-2-carbaldehyde?
The IUPAC name of 4,5-dibromofuran-2-carbaldehyde (CID 1085228) is 4,5-dibromofuran-2-carbaldehyde.
What is the SMILES notation for 4,5-dibromofuran-2-carbaldehyde?
The canonical SMILES for 4,5-dibromofuran-2-carbaldehyde is O=Cc1cc(Br)c(Br)o1.
What is the InChIKey of 4,5-dibromofuran-2-carbaldehyde?
The InChIKey is CRHHCCZDQZBLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2O2/c6-4-1-3(2-8)9-5(4)7/h1-2H.
What are the key properties of 4,5-dibromofuran-2-carbaldehyde?
4,5-dibromofuran-2-carbaldehyde has a molecular weight of 253.88 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromofuran-2-carbaldehyde is sourced from PubChem (CID 1085228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).