2-bromothieno[3,2-b]furan-5-carboxylic acid

C7H3BrO3S — CID 154577100

IUPAC2-bromothieno[3,2-b]furan-5-carboxylic acid
SMILESO=C(O)c1cc2oc(Br)cc2s1
InChIInChI=1S/C7H3BrO3S/c8-6-2-4-3(11-6)1-5(12-4)7(9)10/h1-2H,(H,9,10)
InChIKeyQZIIHDMTBHTBGQ-UHFFFAOYSA-N
MW247.07 g/mol
LogP2.95
Rot. Bonds1

About 2-bromothieno[3,2-b]furan-5-carboxylic acid

2-bromothieno[3,2-b]furan-5-carboxylic acid (PubChem CID 154577100) has the molecular formula C7H3BrO3S and a molecular weight of 247.07 g/mol. Its IUPAC name is 2-bromothieno[3,2-b]furan-5-carboxylic acid.

Molecular Properties

Compound Name2-bromothieno[3,2-b]furan-5-carboxylic acid
PubChem CID154577100
Molecular FormulaC7H3BrO3S
Molecular Weight247.07 g/mol
Exact Mass245.90
IUPAC Name2-bromothieno[3,2-b]furan-5-carboxylic acid
SMILESO=C(O)c1cc2oc(Br)cc2s1
InChIInChI=1S/C7H3BrO3S/c8-6-2-4-3(11-6)1-5(12-4)7(9)10/h1-2H,(H,9,10)
InChIKeyQZIIHDMTBHTBGQ-UHFFFAOYSA-N
XLogP2.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromothieno[3,2-b]furan-5-carboxylic acid?
The IUPAC name of 2-bromothieno[3,2-b]furan-5-carboxylic acid (CID 154577100) is 2-bromothieno[3,2-b]furan-5-carboxylic acid.
What is the SMILES notation for 2-bromothieno[3,2-b]furan-5-carboxylic acid?
The canonical SMILES for 2-bromothieno[3,2-b]furan-5-carboxylic acid is O=C(O)c1cc2oc(Br)cc2s1.
What is the InChIKey of 2-bromothieno[3,2-b]furan-5-carboxylic acid?
The InChIKey is QZIIHDMTBHTBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrO3S/c8-6-2-4-3(11-6)1-5(12-4)7(9)10/h1-2H,(H,9,10).
What are the key properties of 2-bromothieno[3,2-b]furan-5-carboxylic acid?
2-bromothieno[3,2-b]furan-5-carboxylic acid has a molecular weight of 247.07 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromothieno[3,2-b]furan-5-carboxylic acid is sourced from PubChem (CID 154577100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).