2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid

C10H6O4S — CID 89326066

IUPAC2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid
SMILESO=Cc1occc1-c1sccc1C(=O)O
InChIInChI=1S/C10H6O4S/c11-5-8-6(1-3-14-8)9-7(10(12)13)2-4-15-9/h1-5H,(H,12,13)
InChIKeyFNAIXTVBPGGWHS-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.52
Rot. Bonds3

About 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid

2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid (PubChem CID 89326066) has the molecular formula C10H6O4S and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid
PubChem CID89326066
Molecular FormulaC10H6O4S
Molecular Weight222.22 g/mol
Exact Mass222.00
IUPAC Name2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid
SMILESO=Cc1occc1-c1sccc1C(=O)O
InChIInChI=1S/C10H6O4S/c11-5-8-6(1-3-14-8)9-7(10(12)13)2-4-15-9/h1-5H,(H,12,13)
InChIKeyFNAIXTVBPGGWHS-UHFFFAOYSA-N
XLogP2.52
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid (CID 89326066) is 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid is O=Cc1occc1-c1sccc1C(=O)O.
What is the InChIKey of 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid?
The InChIKey is FNAIXTVBPGGWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4S/c11-5-8-6(1-3-14-8)9-7(10(12)13)2-4-15-9/h1-5H,(H,12,13).
What are the key properties of 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid?
2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 89326066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).