5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine

C16H14FNO2S — CID 46947352

IUPAC5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine
SMILESCOc1ccc(-c2cc3ccc(OCCF)cc3s2)cn1
InChIInChI=1S/C16H14FNO2S/c1-19-16-5-3-12(10-18-16)14-8-11-2-4-13(20-7-6-17)9-15(11)21-14/h2-5,8-10H,6-7H2,1H3
InChIKeyFFSFPKZMIUJAST-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.32
Rot. Bonds5

About 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine

5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine (PubChem CID 46947352) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine
PubChem CID46947352
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine
SMILESCOc1ccc(-c2cc3ccc(OCCF)cc3s2)cn1
InChIInChI=1S/C16H14FNO2S/c1-19-16-5-3-12(10-18-16)14-8-11-2-4-13(20-7-6-17)9-15(11)21-14/h2-5,8-10H,6-7H2,1H3
InChIKeyFFSFPKZMIUJAST-UHFFFAOYSA-N
XLogP4.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine?
The IUPAC name of 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine (CID 46947352) is 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine?
The canonical SMILES for 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine is COc1ccc(-c2cc3ccc(OCCF)cc3s2)cn1.
What is the InChIKey of 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine?
The InChIKey is FFSFPKZMIUJAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-19-16-5-3-12(10-18-16)14-8-11-2-4-13(20-7-6-17)9-15(11)21-14/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine?
5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine has a molecular weight of 303.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyridine is sourced from PubChem (CID 46947352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).