3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine

C14H10FNOS — CID 166245649

IUPAC3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine
SMILESFc1cncc(COc2cccc3sccc23)c1
InChIInChI=1S/C14H10FNOS/c15-11-6-10(7-16-8-11)9-17-13-2-1-3-14-12(13)4-5-18-14/h1-8H,9H2
InChIKeyAJTGTXGNZZIQNZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.01
Rot. Bonds3

About 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine

3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine (PubChem CID 166245649) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine
PubChem CID166245649
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine
SMILESFc1cncc(COc2cccc3sccc23)c1
InChIInChI=1S/C14H10FNOS/c15-11-6-10(7-16-8-11)9-17-13-2-1-3-14-12(13)4-5-18-14/h1-8H,9H2
InChIKeyAJTGTXGNZZIQNZ-UHFFFAOYSA-N
XLogP4.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine?
The IUPAC name of 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine (CID 166245649) is 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine.
What is the SMILES notation for 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine?
The canonical SMILES for 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine is Fc1cncc(COc2cccc3sccc23)c1.
What is the InChIKey of 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine?
The InChIKey is AJTGTXGNZZIQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c15-11-6-10(7-16-8-11)9-17-13-2-1-3-14-12(13)4-5-18-14/h1-8H,9H2.
What are the key properties of 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine?
3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine has a molecular weight of 259.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-4-yloxymethyl)-5-fluoropyridine is sourced from PubChem (CID 166245649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).