3-chloro-5-iodothiophene-2-carboxylic acid

C5H2ClIO2S — CID 135275819

IUPAC3-chloro-5-iodothiophene-2-carboxylic acid
SMILESO=C(O)c1sc(I)cc1Cl
InChIInChI=1S/C5H2ClIO2S/c6-2-1-3(7)10-4(2)5(8)9/h1H,(H,8,9)
InChIKeyFECAOOLVZFUCQK-UHFFFAOYSA-N
MW288.49 g/mol
LogP2.70
Rot. Bonds1

About 3-chloro-5-iodothiophene-2-carboxylic acid

3-chloro-5-iodothiophene-2-carboxylic acid (PubChem CID 135275819) has the molecular formula C5H2ClIO2S and a molecular weight of 288.49 g/mol. Its IUPAC name is 3-chloro-5-iodothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-iodothiophene-2-carboxylic acid
PubChem CID135275819
Molecular FormulaC5H2ClIO2S
Molecular Weight288.49 g/mol
Exact Mass287.85
IUPAC Name3-chloro-5-iodothiophene-2-carboxylic acid
SMILESO=C(O)c1sc(I)cc1Cl
InChIInChI=1S/C5H2ClIO2S/c6-2-1-3(7)10-4(2)5(8)9/h1H,(H,8,9)
InChIKeyFECAOOLVZFUCQK-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 52.70
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 3-chloro-5-iodothiophene-2-carboxylic acid?
The IUPAC name of 3-chloro-5-iodothiophene-2-carboxylic acid (CID 135275819) is 3-chloro-5-iodothiophene-2-carboxylic acid.
What is the SMILES notation for 3-chloro-5-iodothiophene-2-carboxylic acid?
The canonical SMILES for 3-chloro-5-iodothiophene-2-carboxylic acid is O=C(O)c1sc(I)cc1Cl.
What is the InChIKey of 3-chloro-5-iodothiophene-2-carboxylic acid?
The InChIKey is FECAOOLVZFUCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIO2S/c6-2-1-3(7)10-4(2)5(8)9/h1H,(H,8,9).
What are the key properties of 3-chloro-5-iodothiophene-2-carboxylic acid?
3-chloro-5-iodothiophene-2-carboxylic acid has a molecular weight of 288.49 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-iodothiophene-2-carboxylic acid is sourced from PubChem (CID 135275819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).