7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid

C9H5FO3S — CID 130940959

IUPAC7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1cc2c(O)ccc(F)c2s1
InChIInChI=1S/C9H5FO3S/c10-5-1-2-6(11)4-3-7(9(12)13)14-8(4)5/h1-3,11H,(H,12,13)
InChIKeyPRJKNWDLHKPROY-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.44
Rot. Bonds1

About 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid

7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid (PubChem CID 130940959) has the molecular formula C9H5FO3S and a molecular weight of 212.20 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid
PubChem CID130940959
Molecular FormulaC9H5FO3S
Molecular Weight212.20 g/mol
Exact Mass211.99
IUPAC Name7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1cc2c(O)ccc(F)c2s1
InChIInChI=1S/C9H5FO3S/c10-5-1-2-6(11)4-3-7(9(12)13)14-8(4)5/h1-3,11H,(H,12,13)
InChIKeyPRJKNWDLHKPROY-UHFFFAOYSA-N
XLogP2.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid (CID 130940959) is 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid is O=C(O)c1cc2c(O)ccc(F)c2s1.
What is the InChIKey of 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid?
The InChIKey is PRJKNWDLHKPROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO3S/c10-5-1-2-6(11)4-3-7(9(12)13)14-8(4)5/h1-3,11H,(H,12,13).
What are the key properties of 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid?
7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 130940959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).