4-bromo-3-methoxythiophene-2-carboxylic acid

C6H5BrO3S — CID 542267

IUPAC4-bromo-3-methoxythiophene-2-carboxylic acid
SMILESCOc1c(Br)csc1C(=O)O
InChIInChI=1S/C6H5BrO3S/c1-10-4-3(7)2-11-5(4)6(8)9/h2H,1H3,(H,8,9)
InChIKeyOLDGPQVUEMIBNR-UHFFFAOYSA-N
MW237.07 g/mol
LogP2.22
Rot. Bonds2

About 4-bromo-3-methoxythiophene-2-carboxylic acid

4-bromo-3-methoxythiophene-2-carboxylic acid (PubChem CID 542267) has the molecular formula C6H5BrO3S and a molecular weight of 237.07 g/mol. Its IUPAC name is 4-bromo-3-methoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-methoxythiophene-2-carboxylic acid
PubChem CID542267
Molecular FormulaC6H5BrO3S
Molecular Weight237.07 g/mol
Exact Mass235.91
IUPAC Name4-bromo-3-methoxythiophene-2-carboxylic acid
SMILESCOc1c(Br)csc1C(=O)O
InChIInChI=1S/C6H5BrO3S/c1-10-4-3(7)2-11-5(4)6(8)9/h2H,1H3,(H,8,9)
InChIKeyOLDGPQVUEMIBNR-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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Related Compounds

3-Methoxythiophene-2-carboxylic acid
CID 1483475
4-Bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
CID 9547975
Methyl 4-bromo-3-methoxythiophene-2-carboxylate
CID 2736824
Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate
CID 2777613
4,5-Dibromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
CID 15588116
3-Methoxy-4-methylthiophene-2-carboxylic acid
CID 13061856
4-Bromo-3-methoxy-5-methylthiophene-2-carboxylic acid
CID 14154205
4,5-Dibromo-3-methoxythiophene-2-carboxylic acid
CID 66697784
3-(Allyloxy)-4,5-dibromothiophene-2-carboxylic acid
CID 44439082
4,5-Dibromo-3-(cyanomethoxy)thiophene-2-carboxylic acid
CID 44439084
4,5-Dibromo-3-(2,2,2-trifluoroethoxy)thiophene-2-carboxylic acid
CID 44439085
4,5-Dibromo-3-(2-hydroxyethoxy)thiophene-2-carboxylic acid
CID 44439086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxythiophene-2-carboxylic acid?
The IUPAC name of 4-bromo-3-methoxythiophene-2-carboxylic acid (CID 542267) is 4-bromo-3-methoxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-bromo-3-methoxythiophene-2-carboxylic acid?
The canonical SMILES for 4-bromo-3-methoxythiophene-2-carboxylic acid is COc1c(Br)csc1C(=O)O.
What is the InChIKey of 4-bromo-3-methoxythiophene-2-carboxylic acid?
The InChIKey is OLDGPQVUEMIBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO3S/c1-10-4-3(7)2-11-5(4)6(8)9/h2H,1H3,(H,8,9).
What are the key properties of 4-bromo-3-methoxythiophene-2-carboxylic acid?
4-bromo-3-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 4-bromo-3-methoxythiophene-2-carboxylic acid is sourced from PubChem (CID 542267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).