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

Name: 2-(5-bromothiophen-2-yl)pentanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₁BrO₂S — CID 82091087

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-(5-bromothiophen-2-yl)pentanoic acid
PubChem CID	82091087
Molecular Formula	C₉H₁₁BrO₂S
Molecular Weight	263.16 g/mol
Exact Mass	261.97
IUPAC Name	2-(5-bromothiophen-2-yl)pentanoic acid
SMILES	CCCC(C(=O)O)c1ccc(Br)s1
InChI	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)
InChIKey	ACILEKYSMWBEGD-UHFFFAOYSA-N
XLogP	3.48
TPSA	37.30 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.16
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 82091087 — identifiers, structure, computed properties (public domain)

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