5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile

C10H7NO2S — CID 130792278

IUPAC5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile
SMILESCOc1cc(O)cc2cc(C#N)sc12
InChIInChI=1S/C10H7NO2S/c1-13-9-4-7(12)2-6-3-8(5-11)14-10(6)9/h2-4,12H,1H3
InChIKeyAJPSRJHZNRJQMO-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.49
Rot. Bonds1

About 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile

5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile (PubChem CID 130792278) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile
PubChem CID130792278
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile
SMILESCOc1cc(O)cc2cc(C#N)sc12
InChIInChI=1S/C10H7NO2S/c1-13-9-4-7(12)2-6-3-8(5-11)14-10(6)9/h2-4,12H,1H3
InChIKeyAJPSRJHZNRJQMO-UHFFFAOYSA-N
XLogP2.49
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile?
The IUPAC name of 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile (CID 130792278) is 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile is COc1cc(O)cc2cc(C#N)sc12.
What is the InChIKey of 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile?
The InChIKey is AJPSRJHZNRJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c1-13-9-4-7(12)2-6-3-8(5-11)14-10(6)9/h2-4,12H,1H3.
What are the key properties of 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile?
5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile has a molecular weight of 205.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 130792278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).