5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile

C9H4FNOS — CID 130839069

IUPAC5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(O)sc2ccc(F)cc12
InChIInChI=1S/C9H4FNOS/c10-5-1-2-8-6(3-5)7(4-11)9(12)13-8/h1-3,12H
InChIKeyVNTGBPYXXQQYBW-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.62
Rot. Bonds

About 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile

5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile (PubChem CID 130839069) has the molecular formula C9H4FNOS and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile
PubChem CID130839069
Molecular FormulaC9H4FNOS
Molecular Weight193.20 g/mol
Exact Mass193.00
IUPAC Name5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(O)sc2ccc(F)cc12
InChIInChI=1S/C9H4FNOS/c10-5-1-2-8-6(3-5)7(4-11)9(12)13-8/h1-3,12H
InChIKeyVNTGBPYXXQQYBW-UHFFFAOYSA-N
XLogP2.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile?
The IUPAC name of 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile (CID 130839069) is 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile is N#Cc1c(O)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile?
The InChIKey is VNTGBPYXXQQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FNOS/c10-5-1-2-8-6(3-5)7(4-11)9(12)13-8/h1-3,12H.
What are the key properties of 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile?
5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile has a molecular weight of 193.20 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 130839069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).