(5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol

C13H9FN2OS — CID 105099165

IUPAC(5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H9FN2OS/c14-9-1-2-11-8(5-9)6-12(18-11)13(17)10-7-15-3-4-16-10/h1-7,13,17H
InChIKeyMAGDVDOAUPXOSB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.91
Rot. Bonds2

About (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol

(5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol (PubChem CID 105099165) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol
PubChem CID105099165
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H9FN2OS/c14-9-1-2-11-8(5-9)6-12(18-11)13(17)10-7-15-3-4-16-10/h1-7,13,17H
InChIKeyMAGDVDOAUPXOSB-UHFFFAOYSA-N
XLogP2.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-Benzothiophen-2-yl)-3-pyridinyl]methanol
CID 46228243
[4-(1-Benzothien-7-yl)-2-pyridinyl]methanol
CID 28465214
[4-(1-Benzothien-2-yl)-2-pyridinyl]methanol
CID 39814985
1-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-1-(3-fluoro-2-pyridinyl)ethanol
CID 11551924
1-[2-(2-Dimethylamino-ethyl)-benzo[b]thiophen-3-yl]-1-(5-fluoro-pyridin-2-yl)-ethanol
CID 11681714
[2-(2-Dimethylamino-ethyl)-benzo[b]thiophen-3-yl]-(2-fluoro-pyridin-3-yl)-methanol
CID 58591576
1-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(5-fluoro-2-pyridinyl)ethanol
CID 69654092
1-[2-[2-(Dimethylamino)ethyl]-1-benzothiophen-3-yl]-2-(3-fluoro-2-pyridinyl)ethanol
CID 69654162
(1R)-1-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-2,2,2-trifluoroethanol
CID 144456135
1-[2-(1-Benzothiophen-7-yl)-4-pyridinyl]-2,2,2-trifluoroethanol
CID 145669963
(2-(Benzo[b]thiophen-2-yl)pyridin-4-yl)methanol
CID 176456583
Pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63969212

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol (CID 105099165) is (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol is OC(c1cnccn1)c1cc2cc(F)ccc2s1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol?
The InChIKey is MAGDVDOAUPXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-9-1-2-11-8(5-9)6-12(18-11)13(17)10-7-15-3-4-16-10/h1-7,13,17H.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol?
(5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol has a molecular weight of 260.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 105099165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).