5-iodothiophene-2-carboxylic acid

C5H3IO2S — CID 12586613

IUPAC5-iodothiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(I)s1
InChIInChI=1S/C5H3IO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKeyHQCXDWXNOLVWER-UHFFFAOYSA-N
MW254.05 g/mol
LogP2.05
Rot. Bonds1

About 5-iodothiophene-2-carboxylic acid

5-iodothiophene-2-carboxylic acid (PubChem CID 12586613) has the molecular formula C5H3IO2S and a molecular weight of 254.05 g/mol. Its IUPAC name is 5-iodothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-iodothiophene-2-carboxylic acid
PubChem CID12586613
Molecular FormulaC5H3IO2S
Molecular Weight254.05 g/mol
Exact Mass253.89
IUPAC Name5-iodothiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(I)s1
InChIInChI=1S/C5H3IO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKeyHQCXDWXNOLVWER-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 52.05
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 5-iodothiophene-2-carboxylic acid?
The IUPAC name of 5-iodothiophene-2-carboxylic acid (CID 12586613) is 5-iodothiophene-2-carboxylic acid.
What is the SMILES notation for 5-iodothiophene-2-carboxylic acid?
The canonical SMILES for 5-iodothiophene-2-carboxylic acid is O=C(O)c1ccc(I)s1.
What is the InChIKey of 5-iodothiophene-2-carboxylic acid?
The InChIKey is HQCXDWXNOLVWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8).
What are the key properties of 5-iodothiophene-2-carboxylic acid?
5-iodothiophene-2-carboxylic acid has a molecular weight of 254.05 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodothiophene-2-carboxylic acid is sourced from PubChem (CID 12586613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).