5-bromo-4-cyclopropylthiophene-2-carboxylic acid

C8H7BrO2S — CID 146079390

IUPAC5-bromo-4-cyclopropylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)c(Br)s1
InChIInChI=1S/C8H7BrO2S/c9-7-5(4-1-2-4)3-6(12-7)8(10)11/h3-4H,1-2H2,(H,10,11)
InChIKeyKFBDAOPSNZNFCV-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.09
Rot. Bonds2

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

5-bromo-4-cyclopropylthiophene-2-carboxylic acid (PubChem CID 146079390) has the molecular formula C8H7BrO2S and a molecular weight of 247.11 g/mol. Its IUPAC name is 5-bromo-4-cyclopropylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-cyclopropylthiophene-2-carboxylic acid
PubChem CID146079390
Molecular FormulaC8H7BrO2S
Molecular Weight247.11 g/mol
Exact Mass245.94
IUPAC Name5-bromo-4-cyclopropylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)c(Br)s1
InChIInChI=1S/C8H7BrO2S/c9-7-5(4-1-2-4)3-6(12-7)8(10)11/h3-4H,1-2H2,(H,10,11)
InChIKeyKFBDAOPSNZNFCV-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-cyclopropylthiophene-2-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-bromo-4-cyclopropylthiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-cyclopropylthiophene-2-carboxylic acid (CID 146079390) is 5-bromo-4-cyclopropylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-cyclopropylthiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-cyclopropylthiophene-2-carboxylic acid is O=C(O)c1cc(C2CC2)c(Br)s1.
What is the InChIKey of 5-bromo-4-cyclopropylthiophene-2-carboxylic acid?
The InChIKey is KFBDAOPSNZNFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2S/c9-7-5(4-1-2-4)3-6(12-7)8(10)11/h3-4H,1-2H2,(H,10,11).
What are the key properties of 5-bromo-4-cyclopropylthiophene-2-carboxylic acid?
5-bromo-4-cyclopropylthiophene-2-carboxylic acid has a molecular weight of 247.11 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropylthiophene-2-carboxylic acid is sourced from PubChem (CID 146079390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).