8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine

C25H23FN2O — CID 155612711

About 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine

8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine (PubChem CID 155612711) has the molecular formula C25H23FN2O and a molecular weight of 386.47 g/mol. Its IUPAC name is 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 155612711
• Molecular Formula: C25H23FN2O
• Molecular Weight: 386.47 g/mol
• Exact Mass: 386.18
• IUPAC Name: 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine
• SMILES: Fc1ccc2c(n1)oc1c(-c3cc(CC4CC5CCC4CC5)ccn3)cccc12
• InChI: InChI=1S/C25H23FN2O/c26-23-9-8-20-19-2-1-3-21(24(19)29-25(20)28-23)22-14-16(10-11-27-22)13-18-12-15-4-6-17(18)7-5-15/h1-3,8-11,14-15,17-18H,4-7,12-13H2
• InChIKey: PSLXJJBXMMSVPG-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine (CID 155612711) is 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine is Fc1ccc2c(n1)oc1c(-c3cc(CC4CC5CCC4CC5)ccn3)cccc12.

What is the InChIKey of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine?

The InChIKey is PSLXJJBXMMSVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O/c26-23-9-8-20-19-2-1-3-21(24(19)29-25(20)28-23)22-14-16(10-11-27-22)13-18-12-15-4-6-17(18)7-5-15/h1-3,8-11,14-15,17-18H,4-7,12-13H2.

What are the key properties of 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine?

8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 386.47 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-fluoro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155612711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).