5-bromofuran-2-carbaldehyde

C5H3BrO2 — CID 600328

IUPAC5-bromofuran-2-carbaldehyde
SMILESO=Cc1ccc(Br)o1
InChIInChI=1S/C5H3BrO2/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKeyWJTFHWXMITZNHS-UHFFFAOYSA-N
MW174.98 g/mol
LogP1.85
Rot. Bonds1

About 5-bromofuran-2-carbaldehyde

5-bromofuran-2-carbaldehyde (PubChem CID 600328) has the molecular formula C5H3BrO2 and a molecular weight of 174.98 g/mol. Its IUPAC name is 5-bromofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-bromofuran-2-carbaldehyde
PubChem CID600328
Molecular FormulaC5H3BrO2
Molecular Weight174.98 g/mol
Exact Mass173.93
IUPAC Name5-bromofuran-2-carbaldehyde
SMILESO=Cc1ccc(Br)o1
InChIInChI=1S/C5H3BrO2/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKeyWJTFHWXMITZNHS-UHFFFAOYSA-N
XLogP1.85
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.98
LogP ≤ 51.85
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 5-bromofuran-2-carbaldehyde?
The IUPAC name of 5-bromofuran-2-carbaldehyde (CID 600328) is 5-bromofuran-2-carbaldehyde.
What is the SMILES notation for 5-bromofuran-2-carbaldehyde?
The canonical SMILES for 5-bromofuran-2-carbaldehyde is O=Cc1ccc(Br)o1.
What is the InChIKey of 5-bromofuran-2-carbaldehyde?
The InChIKey is WJTFHWXMITZNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrO2/c6-5-2-1-4(3-7)8-5/h1-3H.
What are the key properties of 5-bromofuran-2-carbaldehyde?
5-bromofuran-2-carbaldehyde has a molecular weight of 174.98 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromofuran-2-carbaldehyde is sourced from PubChem (CID 600328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).