3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol

C₂₄H₂₁N₃O₂ — CID 171756997

About 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol

3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol (PubChem CID 171756997) has the molecular formula C₂₄H₂₁N₃O₂ and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol.

Molecular Properties

• Compound Name: 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol
• PubChem CID: 171756997
• Molecular Formula: C₂₄H₂₁N₃O₂
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.16
• IUPAC Name: 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol
• SMILES: OCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
• InChI: InChI=1S/C24H21N3O2/c28-14-5-15-29-20-10-8-18(9-11-20)19-16-23(21-6-1-3-12-25-21)27-24(17-19)22-7-2-4-13-26-22/h1-4,6-13,16-17,28H,5,14-15H2
• InChIKey: WRJSOJQBJPUEEA-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 68.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol?

The IUPAC name of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol (CID 171756997) is 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol.

What is the SMILES notation for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol?

The canonical SMILES for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol is OCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.

What is the InChIKey of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol?

The InChIKey is WRJSOJQBJPUEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-14-5-15-29-20-10-8-18(9-11-20)19-16-23(21-6-1-3-12-25-21)27-24(17-19)22-7-2-4-13-26-22/h1-4,6-13,16-17,28H,5,14-15H2.

What are the key properties of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol?

3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol has a molecular weight of 383.45 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol is sourced from PubChem (CID 171756997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171756997 — identifiers, structure, computed properties (public domain)

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