2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine

C16H14FNO2S — CID 46947542

IUPAC2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3ccnc(OCCF)c3)sc2c1
InChIInChI=1S/C16H14FNO2S/c1-19-13-3-2-11-8-14(21-15(11)10-13)12-4-6-18-16(9-12)20-7-5-17/h2-4,6,8-10H,5,7H2,1H3
InChIKeyXJAOEWAOZYLVLP-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine

2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine (PubChem CID 46947542) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine
PubChem CID46947542
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOc1ccc2cc(-c3ccnc(OCCF)c3)sc2c1
InChIInChI=1S/C16H14FNO2S/c1-19-13-3-2-11-8-14(21-15(11)10-13)12-4-6-18-16(9-12)20-7-5-17/h2-4,6,8-10H,5,7H2,1H3
InChIKeyXJAOEWAOZYLVLP-UHFFFAOYSA-N
XLogP4.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine (CID 46947542) is 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine is COc1ccc2cc(-c3ccnc(OCCF)c3)sc2c1.
What is the InChIKey of 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine?
The InChIKey is XJAOEWAOZYLVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-19-13-3-2-11-8-14(21-15(11)10-13)12-4-6-18-16(9-12)20-7-5-17/h2-4,6,8-10H,5,7H2,1H3.
What are the key properties of 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine?
2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine has a molecular weight of 303.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 46947542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).