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

C7H7BrO2S — CID 15112294

IUPAC2-(5-bromothiophen-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C7H7BrO2S/c1-4(7(9)10)5-2-3-6(8)11-5/h2-4H,1H3,(H,9,10)
InChIKeyMFVPTFUXSSLCTE-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.70
Rot. Bonds2

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

2-(5-bromothiophen-2-yl)propanoic acid (PubChem CID 15112294) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)propanoic acid
PubChem CID15112294
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Name2-(5-bromothiophen-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C7H7BrO2S/c1-4(7(9)10)5-2-3-6(8)11-5/h2-4H,1H3,(H,9,10)
InChIKeyMFVPTFUXSSLCTE-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-Methyl-2-thiopheneacetic acid
CID 3016922
Methyl 2-(5-bromothiophen-2-yl)acetate
CID 12403315
4-(5-Bromothiophen-2-yl)butanoic acid
CID 7131746
2-(4-Bromothiophen-2-yl)acetic acid
CID 21260730
2-(5-Bromo-2-methylthiophen-3-yl)acetic acid
CID 65365545
5-Bromo-2-thiopheneacetic acid
CID 3335086
3-(5-Bromothiophen-2-yl)-2-oxopropanoic acid
CID 20121160
2-(3-Bromothiophen-2-yl)acetic acid
CID 21260735
3-(5-Bromothiophen-2-yl)propanoic acid
CID 33679772
2-Bromo-5-ethylthiophene-3-carboxylic acid
CID 59542522
2-(3-Methylthiophen-2-yl)propanoic acid
CID 63992884
Methyl 2-(4-bromothiophen-2-yl)acetate
CID 67367159

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)propanoic acid?
The IUPAC name of 2-(5-bromothiophen-2-yl)propanoic acid (CID 15112294) is 2-(5-bromothiophen-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)propanoic acid?
The canonical SMILES for 2-(5-bromothiophen-2-yl)propanoic acid is CC(C(=O)O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)propanoic acid?
The InChIKey is MFVPTFUXSSLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c1-4(7(9)10)5-2-3-6(8)11-5/h2-4H,1H3,(H,9,10).
What are the key properties of 2-(5-bromothiophen-2-yl)propanoic acid?
2-(5-bromothiophen-2-yl)propanoic acid has a molecular weight of 235.10 g/mol, XLogP of 2.70, 2 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)propanoic acid is sourced from PubChem (CID 15112294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).