5-iodofuran-2-carbonyl chloride

C5H2ClIO2 — CID 23086761

IUPAC5-iodofuran-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(I)o1
InChIInChI=1S/C5H2ClIO2/c6-5(8)3-1-2-4(7)9-3/h1-2H
InChIKeyIIKVVSUCJOCFNF-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.26
Rot. Bonds1

About 5-iodofuran-2-carbonyl chloride

5-iodofuran-2-carbonyl chloride (PubChem CID 23086761) has the molecular formula C5H2ClIO2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-iodofuran-2-carbonyl chloride.

Molecular Properties

Compound Name5-iodofuran-2-carbonyl chloride
PubChem CID23086761
Molecular FormulaC5H2ClIO2
Molecular Weight256.43 g/mol
Exact Mass255.88
IUPAC Name5-iodofuran-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(I)o1
InChIInChI=1S/C5H2ClIO2/c6-5(8)3-1-2-4(7)9-3/h1-2H
InChIKeyIIKVVSUCJOCFNF-UHFFFAOYSA-N
XLogP2.26
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-carbonyl chloride?
The IUPAC name of 5-iodofuran-2-carbonyl chloride (CID 23086761) is 5-iodofuran-2-carbonyl chloride.
What is the SMILES notation for 5-iodofuran-2-carbonyl chloride?
The canonical SMILES for 5-iodofuran-2-carbonyl chloride is O=C(Cl)c1ccc(I)o1.
What is the InChIKey of 5-iodofuran-2-carbonyl chloride?
The InChIKey is IIKVVSUCJOCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIO2/c6-5(8)3-1-2-4(7)9-3/h1-2H.
What are the key properties of 5-iodofuran-2-carbonyl chloride?
5-iodofuran-2-carbonyl chloride has a molecular weight of 256.43 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodofuran-2-carbonyl chloride is sourced from PubChem (CID 23086761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).