5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid

C11H5BrClFO2S — CID 106763133

IUPAC5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Br)c(Cl)c2F)c1
InChIInChI=1S/C11H5BrClFO2S/c12-7-2-1-6(10(14)9(7)13)8-3-5(4-17-8)11(15)16/h1-4H,(H,15,16)
InChIKeyFQVLCWISDXUKLN-UHFFFAOYSA-N
MW335.58 g/mol
LogP4.67
Rot. Bonds2

About 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid

5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid (PubChem CID 106763133) has the molecular formula C11H5BrClFO2S and a molecular weight of 335.58 g/mol. Its IUPAC name is 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid
PubChem CID106763133
Molecular FormulaC11H5BrClFO2S
Molecular Weight335.58 g/mol
Exact Mass333.89
IUPAC Name5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(Br)c(Cl)c2F)c1
InChIInChI=1S/C11H5BrClFO2S/c12-7-2-1-6(10(14)9(7)13)8-3-5(4-17-8)11(15)16/h1-4H,(H,15,16)
InChIKeyFQVLCWISDXUKLN-UHFFFAOYSA-N
XLogP4.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid (CID 106763133) is 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid is O=C(O)c1csc(-c2ccc(Br)c(Cl)c2F)c1.
What is the InChIKey of 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid?
The InChIKey is FQVLCWISDXUKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFO2S/c12-7-2-1-6(10(14)9(7)13)8-3-5(4-17-8)11(15)16/h1-4H,(H,15,16).
What are the key properties of 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid?
5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid has a molecular weight of 335.58 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-chloro-2-fluorophenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 106763133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).