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

C24H21N3O2 — CID 171756997

IUPAC3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol
SMILESOCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=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
InChIKeyWRJSOJQBJPUEEA-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.63
Rot. Bonds7

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 Name3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol
PubChem CID171756997
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]propan-1-ol
SMILESOCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=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
InChIKeyWRJSOJQBJPUEEA-UHFFFAOYSA-N
XLogP4.63
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 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).