1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol

C11H9ClFNOS — CID 83124620

IUPAC1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc(F)cn1)c1ccc(Cl)s1
InChIInChI=1S/C11H9ClFNOS/c1-11(15,9-4-5-10(12)16-9)8-3-2-7(13)6-14-8/h2-6,15H,1H3
InChIKeyVVDOYBIJZBRULO-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.19
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol

1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 83124620) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID83124620
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc(F)cn1)c1ccc(Cl)s1
InChIInChI=1S/C11H9ClFNOS/c1-11(15,9-4-5-10(12)16-9)8-3-2-7(13)6-14-8/h2-6,15H,1H3
InChIKeyVVDOYBIJZBRULO-UHFFFAOYSA-N
XLogP3.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 83124620) is 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol is CC(O)(c1ccc(F)cn1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is VVDOYBIJZBRULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c1-11(15,9-4-5-10(12)16-9)8-3-2-7(13)6-14-8/h2-6,15H,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 257.72 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 83124620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).