4-bromofuran-3-carbaldehyde

C5H3BrO2 — CID 3465927

IUPAC4-bromofuran-3-carbaldehyde
SMILESO=Cc1cocc1Br
InChIInChI=1S/C5H3BrO2/c6-5-3-8-2-4(5)1-7/h1-3H
InChIKeyYAHPWJLCYPSKEE-UHFFFAOYSA-N
MW174.98 g/mol
LogP1.85
Rot. Bonds1

About 4-bromofuran-3-carbaldehyde

4-bromofuran-3-carbaldehyde (PubChem CID 3465927) has the molecular formula C5H3BrO2 and a molecular weight of 174.98 g/mol. Its IUPAC name is 4-bromofuran-3-carbaldehyde.

Molecular Properties

Compound Name4-bromofuran-3-carbaldehyde
PubChem CID3465927
Molecular FormulaC5H3BrO2
Molecular Weight174.98 g/mol
Exact Mass173.93
IUPAC Name4-bromofuran-3-carbaldehyde
SMILESO=Cc1cocc1Br
InChIInChI=1S/C5H3BrO2/c6-5-3-8-2-4(5)1-7/h1-3H
InChIKeyYAHPWJLCYPSKEE-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 4-bromofuran-3-carbaldehyde?
The IUPAC name of 4-bromofuran-3-carbaldehyde (CID 3465927) is 4-bromofuran-3-carbaldehyde.
What is the SMILES notation for 4-bromofuran-3-carbaldehyde?
The canonical SMILES for 4-bromofuran-3-carbaldehyde is O=Cc1cocc1Br.
What is the InChIKey of 4-bromofuran-3-carbaldehyde?
The InChIKey is YAHPWJLCYPSKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrO2/c6-5-3-8-2-4(5)1-7/h1-3H.
What are the key properties of 4-bromofuran-3-carbaldehyde?
4-bromofuran-3-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 4-bromofuran-3-carbaldehyde is sourced from PubChem (CID 3465927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).