5-(2-bromophenyl)thiophene-3-carboxylic acid

C11H7BrO2S — CID 115503539

IUPAC5-(2-bromophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2Br)c1
InChIInChI=1S/C11H7BrO2S/c12-9-4-2-1-3-8(9)10-5-7(6-15-10)11(13)14/h1-6H,(H,13,14)
InChIKeyWCRWSRJHSLJEEQ-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.88
Rot. Bonds2

About 5-(2-bromophenyl)thiophene-3-carboxylic acid

5-(2-bromophenyl)thiophene-3-carboxylic acid (PubChem CID 115503539) has the molecular formula C11H7BrO2S and a molecular weight of 283.15 g/mol. Its IUPAC name is 5-(2-bromophenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-bromophenyl)thiophene-3-carboxylic acid
PubChem CID115503539
Molecular FormulaC11H7BrO2S
Molecular Weight283.15 g/mol
Exact Mass281.94
IUPAC Name5-(2-bromophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2Br)c1
InChIInChI=1S/C11H7BrO2S/c12-9-4-2-1-3-8(9)10-5-7(6-15-10)11(13)14/h1-6H,(H,13,14)
InChIKeyWCRWSRJHSLJEEQ-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-bromophenyl)thiophen-3-yl]cyclopropane-1-carboxylic acid
CID 84605544
5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid
CID 106763133
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
5-(1H-indol-3-yl)thiophene-3-carboxylic acid
CID 82478024
5-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114884542
5-(4-benzylphenyl)thiophene-3-carboxylic acid
CID 79692056
3-(2-bromophenyl)-4-fluorobenzoic acid
CID 107957461
5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63549537
5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc
CID 174687805
phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane
CID 172747711
5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid
CID 98021688
5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 61401933

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(2-bromophenyl)thiophene-3-carboxylic acid (CID 115503539) is 5-(2-bromophenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(2-bromophenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(2-bromophenyl)thiophene-3-carboxylic acid is O=C(O)c1csc(-c2ccccc2Br)c1.
What is the InChIKey of 5-(2-bromophenyl)thiophene-3-carboxylic acid?
The InChIKey is WCRWSRJHSLJEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2S/c12-9-4-2-1-3-8(9)10-5-7(6-15-10)11(13)14/h1-6H,(H,13,14).
What are the key properties of 5-(2-bromophenyl)thiophene-3-carboxylic acid?
5-(2-bromophenyl)thiophene-3-carboxylic acid has a molecular weight of 283.15 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 115503539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).