2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol

C11H9BrFNOS — CID 79722703

IUPAC2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1cc(Br)cs1)c1ccc(F)cn1
InChIInChI=1S/C11H9BrFNOS/c12-7-3-9(16-6-7)4-11(15)10-2-1-8(13)5-14-10/h1-3,5-6,11,15H,4H2
InChIKeyCVSXXXVDLIAUOP-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.32
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol

2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 79722703) has the molecular formula C11H9BrFNOS and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID79722703
Molecular FormulaC11H9BrFNOS
Molecular Weight302.17 g/mol
Exact Mass300.96
IUPAC Name2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1cc(Br)cs1)c1ccc(F)cn1
InChIInChI=1S/C11H9BrFNOS/c12-7-3-9(16-6-7)4-11(15)10-2-1-8(13)5-14-10/h1-3,5-6,11,15H,4H2
InChIKeyCVSXXXVDLIAUOP-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 79722703) is 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol is OC(Cc1cc(Br)cs1)c1ccc(F)cn1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is CVSXXXVDLIAUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNOS/c12-7-3-9(16-6-7)4-11(15)10-2-1-8(13)5-14-10/h1-3,5-6,11,15H,4H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 302.17 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 79722703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).