2-(5-bromothiophen-2-yl)pentanoic acid

C9H11BrO2S — CID 82091087

IUPAC2-(5-bromothiophen-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrO2S/c1-2-3-6(9(11)12)7-4-5-8(10)13-7/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyACILEKYSMWBEGD-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.48
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)pentanoic acid

2-(5-bromothiophen-2-yl)pentanoic acid (PubChem CID 82091087) has the molecular formula C9H11BrO2S and a molecular weight of 263.16 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)pentanoic acid
PubChem CID82091087
Molecular FormulaC9H11BrO2S
Molecular Weight263.16 g/mol
Exact Mass261.97
IUPAC Name2-(5-bromothiophen-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrO2S/c1-2-3-6(9(11)12)7-4-5-8(10)13-7/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyACILEKYSMWBEGD-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromothiophen-2-yl)pentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-bromothiophen-2-yl)-hydroxymethyl]butanoic acid
CID 62398841
2-(5-bromothiophen-2-yl)-3-pyrrolidin-1-ylpropanoic acid
CID 82094855
2-bromo-5-(1-chlorobutyl)thiophene
CID 61085689
2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid
CID 61345849
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one
CID 83226219
6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid
CID 61101885
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920
2-[10-(1-carboxybutyl)anthracen-9-yl]pentanoic acid
CID 151443637
2-bromo-5-(1-bromoheptyl)thiophene
CID 114753618

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)pentanoic acid?
The IUPAC name of 2-(5-bromothiophen-2-yl)pentanoic acid (CID 82091087) is 2-(5-bromothiophen-2-yl)pentanoic acid.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)pentanoic acid?
The canonical SMILES for 2-(5-bromothiophen-2-yl)pentanoic acid is CCCC(C(=O)O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)pentanoic acid?
The InChIKey is ACILEKYSMWBEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2S/c1-2-3-6(9(11)12)7-4-5-8(10)13-7/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(5-bromothiophen-2-yl)pentanoic acid?
2-(5-bromothiophen-2-yl)pentanoic acid has a molecular weight of 263.16 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)pentanoic acid is sourced from PubChem (CID 82091087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).