6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid

C10H7FO3S — CID 67184797

IUPAC6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid
SMILESCOc1c(F)ccc2cc(C(=O)O)sc12
InChIInChI=1S/C10H7FO3S/c1-14-8-6(11)3-2-5-4-7(10(12)13)15-9(5)8/h2-4H,1H3,(H,12,13)
InChIKeyZIJPFDZMMOOTFM-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.75
Rot. Bonds2

About 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid

6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid (PubChem CID 67184797) has the molecular formula C10H7FO3S and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid
PubChem CID67184797
Molecular FormulaC10H7FO3S
Molecular Weight226.23 g/mol
Exact Mass226.01
IUPAC Name6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid
SMILESCOc1c(F)ccc2cc(C(=O)O)sc12
InChIInChI=1S/C10H7FO3S/c1-14-8-6(11)3-2-5-4-7(10(12)13)15-9(5)8/h2-4H,1H3,(H,12,13)
InChIKeyZIJPFDZMMOOTFM-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid (CID 67184797) is 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid is COc1c(F)ccc2cc(C(=O)O)sc12.
What is the InChIKey of 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid?
The InChIKey is ZIJPFDZMMOOTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3S/c1-14-8-6(11)3-2-5-4-7(10(12)13)15-9(5)8/h2-4H,1H3,(H,12,13).
What are the key properties of 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid?
6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 67184797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).