5-bromo-4-methoxythiophene-2-carboxylic acid

C6H5BrO3S — CID 71757363

IUPAC5-bromo-4-methoxythiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1Br
InChIInChI=1S/C6H5BrO3S/c1-10-3-2-4(6(8)9)11-5(3)7/h2H,1H3,(H,8,9)
InChIKeySSZYFNWEXXZETP-UHFFFAOYSA-N
MW237.07 g/mol
LogP2.22
Rot. Bonds2

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

5-bromo-4-methoxythiophene-2-carboxylic acid (PubChem CID 71757363) has the molecular formula C6H5BrO3S and a molecular weight of 237.07 g/mol. Its IUPAC name is 5-bromo-4-methoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-methoxythiophene-2-carboxylic acid
PubChem CID71757363
Molecular FormulaC6H5BrO3S
Molecular Weight237.07 g/mol
Exact Mass235.91
IUPAC Name5-bromo-4-methoxythiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1Br
InChIInChI=1S/C6H5BrO3S/c1-10-3-2-4(6(8)9)11-5(3)7/h2H,1H3,(H,8,9)
InChIKeySSZYFNWEXXZETP-UHFFFAOYSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.07
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxythiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-methoxythiophene-2-carboxylic acid (CID 71757363) is 5-bromo-4-methoxythiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-methoxythiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-methoxythiophene-2-carboxylic acid is COc1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-methoxythiophene-2-carboxylic acid?
The InChIKey is SSZYFNWEXXZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO3S/c1-10-3-2-4(6(8)9)11-5(3)7/h2H,1H3,(H,8,9).
What are the key properties of 5-bromo-4-methoxythiophene-2-carboxylic acid?
5-bromo-4-methoxythiophene-2-carboxylic acid has a molecular weight of 237.07 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxythiophene-2-carboxylic acid is sourced from PubChem (CID 71757363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).