5-iodofuran-2-carbaldehyde

C5H3IO2 — CID 693264

IUPAC5-iodofuran-2-carbaldehyde
SMILESO=Cc1ccc(I)o1
InChIInChI=1S/C5H3IO2/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKeyQPGPCPKDVSPJAY-UHFFFAOYSA-N
MW221.98 g/mol
LogP1.70
Rot. Bonds1

About 5-iodofuran-2-carbaldehyde

5-iodofuran-2-carbaldehyde (PubChem CID 693264) has the molecular formula C5H3IO2 and a molecular weight of 221.98 g/mol. Its IUPAC name is 5-iodofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-iodofuran-2-carbaldehyde
PubChem CID693264
Molecular FormulaC5H3IO2
Molecular Weight221.98 g/mol
Exact Mass221.92
IUPAC Name5-iodofuran-2-carbaldehyde
SMILESO=Cc1ccc(I)o1
InChIInChI=1S/C5H3IO2/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKeyQPGPCPKDVSPJAY-UHFFFAOYSA-N
XLogP1.70
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.98
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodofuran-2-carbaldehyde?
The IUPAC name of 5-iodofuran-2-carbaldehyde (CID 693264) is 5-iodofuran-2-carbaldehyde.
What is the SMILES notation for 5-iodofuran-2-carbaldehyde?
The canonical SMILES for 5-iodofuran-2-carbaldehyde is O=Cc1ccc(I)o1.
What is the InChIKey of 5-iodofuran-2-carbaldehyde?
The InChIKey is QPGPCPKDVSPJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IO2/c6-5-2-1-4(3-7)8-5/h1-3H.
What are the key properties of 5-iodofuran-2-carbaldehyde?
5-iodofuran-2-carbaldehyde has a molecular weight of 221.98 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodofuran-2-carbaldehyde is sourced from PubChem (CID 693264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).