5-bromo-4-chlorothiophene-2-carboxylic acid

C5H2BrClO2S — CID 16639170

IUPAC5-bromo-4-chlorothiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C5H2BrClO2S/c6-4-2(7)1-3(10-4)5(8)9/h1H,(H,8,9)
InChIKeyKDAAIEHVVGYWRT-UHFFFAOYSA-N
MW241.49 g/mol
LogP2.86
Rot. Bonds1

About 5-bromo-4-chlorothiophene-2-carboxylic acid

5-bromo-4-chlorothiophene-2-carboxylic acid (PubChem CID 16639170) has the molecular formula C5H2BrClO2S and a molecular weight of 241.49 g/mol. Its IUPAC name is 5-bromo-4-chlorothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-chlorothiophene-2-carboxylic acid
PubChem CID16639170
Molecular FormulaC5H2BrClO2S
Molecular Weight241.49 g/mol
Exact Mass239.86
IUPAC Name5-bromo-4-chlorothiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C5H2BrClO2S/c6-4-2(7)1-3(10-4)5(8)9/h1H,(H,8,9)
InChIKeyKDAAIEHVVGYWRT-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chlorothiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-chlorothiophene-2-carboxylic acid (CID 16639170) is 5-bromo-4-chlorothiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-chlorothiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-chlorothiophene-2-carboxylic acid is O=C(O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chlorothiophene-2-carboxylic acid?
The InChIKey is KDAAIEHVVGYWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClO2S/c6-4-2(7)1-3(10-4)5(8)9/h1H,(H,8,9).
What are the key properties of 5-bromo-4-chlorothiophene-2-carboxylic acid?
5-bromo-4-chlorothiophene-2-carboxylic acid has a molecular weight of 241.49 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chlorothiophene-2-carboxylic acid is sourced from PubChem (CID 16639170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).