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

C20H13F2NOS — CID 46044334

IUPAC3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2cncc(-c3cc4ccccc4s3)c2)c(F)c1
InChIInChI=1S/C20H13F2NOS/c21-16-5-6-18(17(22)9-16)24-12-13-7-15(11-23-10-13)20-8-14-3-1-2-4-19(14)25-20/h1-11H,12H2
InChIKeyUMVLKYZDVBFPDY-UHFFFAOYSA-N
MW353.39 g/mol
LogP5.82
Rot. Bonds4

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

3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine (PubChem CID 46044334) has the molecular formula C20H13F2NOS and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine
PubChem CID46044334
Molecular FormulaC20H13F2NOS
Molecular Weight353.39 g/mol
Exact Mass353.07
IUPAC Name3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2cncc(-c3cc4ccccc4s3)c2)c(F)c1
InChIInChI=1S/C20H13F2NOS/c21-16-5-6-18(17(22)9-16)24-12-13-7-15(11-23-10-13)20-8-14-3-1-2-4-19(14)25-20/h1-11H,12H2
InChIKeyUMVLKYZDVBFPDY-UHFFFAOYSA-N
XLogP5.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine (CID 46044334) is 3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine is Fc1ccc(OCc2cncc(-c3cc4ccccc4s3)c2)c(F)c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine?
The InChIKey is UMVLKYZDVBFPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NOS/c21-16-5-6-18(17(22)9-16)24-12-13-7-15(11-23-10-13)20-8-14-3-1-2-4-19(14)25-20/h1-11H,12H2.
What are the key properties of 3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine?
3-(1-benzothiophen-2-yl)-5-[(2,4-difluorophenoxy)methyl]pyridine has a molecular weight of 353.39 g/mol, XLogP of 5.82, 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-[(2,4-difluorophenoxy)methyl]pyridine is sourced from PubChem (CID 46044334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).