2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

C17H16FNOS — CID 105115111

IUPAC2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc3cc(F)ccc3s2)nc1
InChIInChI=1S/C17H16FNOS/c1-2-11-3-5-14(19-10-11)9-15(20)17-8-12-7-13(18)4-6-16(12)21-17/h3-8,10,15,20H,2,9H2,1H3
InChIKeyQEUQBXNYQXBXEC-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.27
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (PubChem CID 105115111) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
PubChem CID105115111
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc3cc(F)ccc3s2)nc1
InChIInChI=1S/C17H16FNOS/c1-2-11-3-5-14(19-10-11)9-15(20)17-8-12-7-13(18)4-6-16(12)21-17/h3-8,10,15,20H,2,9H2,1H3
InChIKeyQEUQBXNYQXBXEC-UHFFFAOYSA-N
XLogP4.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Fluorobenzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)piperazin-1-yl)propan-1-ol
CID 10112935
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-6-yl-piperazin-1-yl)-propan-1-ol
CID 10179327
1-(1-Benzothiophen-3-yl)-3-(4-quinolin-4-ylpiperazin-1-yl)propan-1-ol
CID 10296991
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-3-yl-piperazin-1-yl)-propan-1-ol
CID 10916460
1-Benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56672374
(2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one
CID 658869
2-Thiophenemethanol, 5-(3-pyridinyl)-
CID 11816351
N-[(2-fluoro-4-pyridinyl)methyl]-N-[3-(1-hydroxyethyl)-1-benzothiophen-2-yl]ethanesulfonamide
CID 66907258
N-[(2-fluoro-4-pyridinyl)methyl]-N-[3-(2-hydroxypropan-2-yl)-1-benzothiophen-2-yl]ethanesulfonamide
CID 66907550
4-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol
CID 118903730
1-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol
CID 118911858
Isoquinolin-1-yl(thiophen-2-yl)methanol
CID 2999753

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (CID 105115111) is 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is CCc1ccc(CC(O)c2cc3cc(F)ccc3s2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The InChIKey is QEUQBXNYQXBXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-2-11-3-5-14(19-10-11)9-15(20)17-8-12-7-13(18)4-6-16(12)21-17/h3-8,10,15,20H,2,9H2,1H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol has a molecular weight of 301.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105115111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).