2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine

C17H16FNO2S — CID 46947351

IUPAC2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3ccc(OCCCF)nc3)sc2c1
InChIInChI=1S/C17H16FNO2S/c1-20-14-5-3-12-9-15(22-16(12)10-14)13-4-6-17(19-11-13)21-8-2-7-18/h3-6,9-11H,2,7-8H2,1H3
InChIKeyXJOASAJDOXMDJW-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.71
Rot. Bonds6

About 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine

2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine (PubChem CID 46947351) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine
PubChem CID46947351
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC Name2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3ccc(OCCCF)nc3)sc2c1
InChIInChI=1S/C17H16FNO2S/c1-20-14-5-3-12-9-15(22-16(12)10-14)13-4-6-17(19-11-13)21-8-2-7-18/h3-6,9-11H,2,7-8H2,1H3
InChIKeyXJOASAJDOXMDJW-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine (CID 46947351) is 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine is COc1ccc2cc(-c3ccc(OCCCF)nc3)sc2c1.
What is the InChIKey of 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine?
The InChIKey is XJOASAJDOXMDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-20-14-5-3-12-9-15(22-16(12)10-14)13-4-6-17(19-11-13)21-8-2-7-18/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine?
2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine 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 2-(3-fluoropropoxy)-5-(6-methoxy-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 46947351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).