5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine

C23H20FNO2 — CID 155132286

IUPAC5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine
SMILESCCCc1ccc2cc(-c3ccc(-c4cc(OC)ccc4F)cn3)oc2c1
InChIInChI=1S/C23H20FNO2/c1-3-4-15-5-6-16-12-23(27-22(16)11-15)21-10-7-17(14-25-21)19-13-18(26-2)8-9-20(19)24/h5-14H,3-4H2,1-2H3
InChIKeyVZBWPLOMAGCHGY-UHFFFAOYSA-N
MW361.42 g/mol
LogP6.26
Rot. Bonds5

About 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine

5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine (PubChem CID 155132286) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine.

Molecular Properties

Compound Name5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine
PubChem CID155132286
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine
SMILESCCCc1ccc2cc(-c3ccc(-c4cc(OC)ccc4F)cn3)oc2c1
InChIInChI=1S/C23H20FNO2/c1-3-4-15-5-6-16-12-23(27-22(16)11-15)21-10-7-17(14-25-21)19-13-18(26-2)8-9-20(19)24/h5-14H,3-4H2,1-2H3
InChIKeyVZBWPLOMAGCHGY-UHFFFAOYSA-N
XLogP6.26
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine?
The IUPAC name of 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine (CID 155132286) is 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine.
What is the SMILES notation for 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine?
The canonical SMILES for 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine is CCCc1ccc2cc(-c3ccc(-c4cc(OC)ccc4F)cn3)oc2c1.
What is the InChIKey of 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine?
The InChIKey is VZBWPLOMAGCHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-3-4-15-5-6-16-12-23(27-22(16)11-15)21-10-7-17(14-25-21)19-13-18(26-2)8-9-20(19)24/h5-14H,3-4H2,1-2H3.
What are the key properties of 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine?
5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine has a molecular weight of 361.42 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methoxyphenyl)-2-(6-propyl-1-benzofuran-2-yl)pyridine is sourced from PubChem (CID 155132286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).