2-iodofuran-3-carboxylic acid

C5H3IO3 — CID 68563082

IUPAC2-iodofuran-3-carboxylic acid
SMILESO=C(O)c1ccoc1I
InChIInChI=1S/C5H3IO3/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
InChIKeyJNHIXEHYXXAQJP-UHFFFAOYSA-N
MW237.98 g/mol
LogP1.58
Rot. Bonds1

About 2-iodofuran-3-carboxylic acid

2-iodofuran-3-carboxylic acid (PubChem CID 68563082) has the molecular formula C5H3IO3 and a molecular weight of 237.98 g/mol. Its IUPAC name is 2-iodofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-iodofuran-3-carboxylic acid
PubChem CID68563082
Molecular FormulaC5H3IO3
Molecular Weight237.98 g/mol
Exact Mass237.91
IUPAC Name2-iodofuran-3-carboxylic acid
SMILESO=C(O)c1ccoc1I
InChIInChI=1S/C5H3IO3/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
InChIKeyJNHIXEHYXXAQJP-UHFFFAOYSA-N
XLogP1.58
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.98
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodofuran-3-carboxylic acid?
The IUPAC name of 2-iodofuran-3-carboxylic acid (CID 68563082) is 2-iodofuran-3-carboxylic acid.
What is the SMILES notation for 2-iodofuran-3-carboxylic acid?
The canonical SMILES for 2-iodofuran-3-carboxylic acid is O=C(O)c1ccoc1I.
What is the InChIKey of 2-iodofuran-3-carboxylic acid?
The InChIKey is JNHIXEHYXXAQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IO3/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8).
What are the key properties of 2-iodofuran-3-carboxylic acid?
2-iodofuran-3-carboxylic acid has a molecular weight of 237.98 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodofuran-3-carboxylic acid is sourced from PubChem (CID 68563082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).