4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine

C17H16FNO2S — CID 46947545

IUPAC4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine
SMILESCOc1cc(-c2cc3ccc(OCCCF)cc3s2)ccn1
InChIInChI=1S/C17H16FNO2S/c1-20-17-10-13(5-7-19-17)15-9-12-3-4-14(11-16(12)22-15)21-8-2-6-18/h3-5,7,9-11H,2,6,8H2,1H3
InChIKeyDZQCFTYJICZALU-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.71
Rot. Bonds6

About 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine

4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine (PubChem CID 46947545) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine.

Molecular Properties

Compound Name4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine
PubChem CID46947545
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC Name4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine
SMILESCOc1cc(-c2cc3ccc(OCCCF)cc3s2)ccn1
InChIInChI=1S/C17H16FNO2S/c1-20-17-10-13(5-7-19-17)15-9-12-3-4-14(11-16(12)22-15)21-8-2-6-18/h3-5,7,9-11H,2,6,8H2,1H3
InChIKeyDZQCFTYJICZALU-UHFFFAOYSA-N
XLogP4.71
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine 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 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine?
The IUPAC name of 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine (CID 46947545) is 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine.
What is the SMILES notation for 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine?
The canonical SMILES for 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine is COc1cc(-c2cc3ccc(OCCCF)cc3s2)ccn1.
What is the InChIKey of 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine?
The InChIKey is DZQCFTYJICZALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-20-17-10-13(5-7-19-17)15-9-12-3-4-14(11-16(12)22-15)21-8-2-6-18/h3-5,7,9-11H,2,6,8H2,1H3.
What are the key properties of 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine?
4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine has a molecular weight of 317.39 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluoropropoxy)-1-benzothiophen-2-yl]-2-methoxypyridine is sourced from PubChem (CID 46947545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).