1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone

C15H10FNO2S — CID 19878456

IUPAC1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1c(O)sc2ccc(F)cc12
InChIInChI=1S/C15H10FNO2S/c16-9-4-5-13-11(7-9)14(15(19)20-13)12(18)8-10-3-1-2-6-17-10/h1-7,19H,8H2
InChIKeyCROXLVNWQBTXJF-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.57
Rot. Bonds3

About 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone

1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone (PubChem CID 19878456) has the molecular formula C15H10FNO2S and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
PubChem CID19878456
Molecular FormulaC15H10FNO2S
Molecular Weight287.31 g/mol
Exact Mass287.04
IUPAC Name1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1c(O)sc2ccc(F)cc12
InChIInChI=1S/C15H10FNO2S/c16-9-4-5-13-11(7-9)14(15(19)20-13)12(18)8-10-3-1-2-6-17-10/h1-7,19H,8H2
InChIKeyCROXLVNWQBTXJF-UHFFFAOYSA-N
XLogP3.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone (CID 19878456) is 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1c(O)sc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone?
The InChIKey is CROXLVNWQBTXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S/c16-9-4-5-13-11(7-9)14(15(19)20-13)12(18)8-10-3-1-2-6-17-10/h1-7,19H,8H2.
What are the key properties of 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone?
1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone has a molecular weight of 287.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxy-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 19878456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).