3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine

C20H14FNOS — CID 42851648

IUPAC3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2cncc(-c3cc4ccccc4s3)c2)cc1
InChIInChI=1S/C20H14FNOS/c21-17-5-7-18(8-6-17)23-13-14-9-16(12-22-11-14)20-10-15-3-1-2-4-19(15)24-20/h1-12H,13H2
InChIKeyISXOXCIWEHJGHY-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.68
Rot. Bonds4

About 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine

3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine (PubChem CID 42851648) has the molecular formula C20H14FNOS and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine
PubChem CID42851648
Molecular FormulaC20H14FNOS
Molecular Weight335.40 g/mol
Exact Mass335.08
IUPAC Name3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2cncc(-c3cc4ccccc4s3)c2)cc1
InChIInChI=1S/C20H14FNOS/c21-17-5-7-18(8-6-17)23-13-14-9-16(12-22-11-14)20-10-15-3-1-2-4-19(15)24-20/h1-12H,13H2
InChIKeyISXOXCIWEHJGHY-UHFFFAOYSA-N
XLogP5.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine (CID 42851648) is 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine is Fc1ccc(OCc2cncc(-c3cc4ccccc4s3)c2)cc1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine?
The InChIKey is ISXOXCIWEHJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNOS/c21-17-5-7-18(8-6-17)23-13-14-9-16(12-22-11-14)20-10-15-3-1-2-4-19(15)24-20/h1-12H,13H2.
What are the key properties of 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine?
3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine has a molecular weight of 335.40 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-5-[(4-fluorophenoxy)methyl]pyridine is sourced from PubChem (CID 42851648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).