5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile

C10H6FNOS — CID 130803929

IUPAC5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile
SMILESCOc1cc(F)cc2c(C#N)csc12
InChIInChI=1S/C10H6FNOS/c1-13-9-3-7(11)2-8-6(4-12)5-14-10(8)9/h2-3,5H,1H3
InChIKeyNBASHPJSIBYQIW-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.92
Rot. Bonds1

About 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile

5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile (PubChem CID 130803929) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile
PubChem CID130803929
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile
SMILESCOc1cc(F)cc2c(C#N)csc12
InChIInChI=1S/C10H6FNOS/c1-13-9-3-7(11)2-8-6(4-12)5-14-10(8)9/h2-3,5H,1H3
InChIKeyNBASHPJSIBYQIW-UHFFFAOYSA-N
XLogP2.92
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile?
The IUPAC name of 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile (CID 130803929) is 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile is COc1cc(F)cc2c(C#N)csc12.
What is the InChIKey of 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile?
The InChIKey is NBASHPJSIBYQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c1-13-9-3-7(11)2-8-6(4-12)5-14-10(8)9/h2-3,5H,1H3.
What are the key properties of 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile?
5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 130803929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).