5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol

C19H12FNO2S — CID 166630322

IUPAC5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3cc4ccccc4s3)n2)ccc1F
InChIInChI=1S/C19H12FNO2S/c20-14-9-8-13(11-16(14)22)23-19-7-3-5-15(21-19)18-10-12-4-1-2-6-17(12)24-18/h1-11,22H
InChIKeyXAOAZMCTLGKMGS-UHFFFAOYSA-N
MW337.38 g/mol
LogP5.60
Rot. Bonds3

About 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol

5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol (PubChem CID 166630322) has the molecular formula C19H12FNO2S and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol.

Molecular Properties

Compound Name5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol
PubChem CID166630322
Molecular FormulaC19H12FNO2S
Molecular Weight337.38 g/mol
Exact Mass337.06
IUPAC Name5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3cc4ccccc4s3)n2)ccc1F
InChIInChI=1S/C19H12FNO2S/c20-14-9-8-13(11-16(14)22)23-19-7-3-5-15(21-19)18-10-12-4-1-2-6-17(12)24-18/h1-11,22H
InChIKeyXAOAZMCTLGKMGS-UHFFFAOYSA-N
XLogP5.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol?
The IUPAC name of 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol (CID 166630322) is 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol.
What is the SMILES notation for 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol?
The canonical SMILES for 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol is Oc1cc(Oc2cccc(-c3cc4ccccc4s3)n2)ccc1F.
What is the InChIKey of 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol?
The InChIKey is XAOAZMCTLGKMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO2S/c20-14-9-8-13(11-16(14)22)23-19-7-3-5-15(21-19)18-10-12-4-1-2-6-17(12)24-18/h1-11,22H.
What are the key properties of 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol?
5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol has a molecular weight of 337.38 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(1-benzothiophen-2-yl)-2-pyridinyl]oxy]-2-fluorophenol is sourced from PubChem (CID 166630322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).