4-butoxy-2,6-dipyridin-2-ylpyridine

C19H19N3O — CID 11077609

IUPAC4-butoxy-2,6-dipyridin-2-ylpyridine
SMILESCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C19H19N3O/c1-2-3-12-23-15-13-18(16-8-4-6-10-20-16)22-19(14-15)17-9-5-7-11-21-17/h4-11,13-14H,2-3,12H2,1H3
InChIKeyXOFIVGPUXALVCN-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.38
Rot. Bonds6

About 4-butoxy-2,6-dipyridin-2-ylpyridine

4-butoxy-2,6-dipyridin-2-ylpyridine (PubChem CID 11077609) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-butoxy-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-butoxy-2,6-dipyridin-2-ylpyridine
PubChem CID11077609
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-butoxy-2,6-dipyridin-2-ylpyridine
SMILESCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C19H19N3O/c1-2-3-12-23-15-13-18(16-8-4-6-10-20-16)22-19(14-15)17-9-5-7-11-21-17/h4-11,13-14H,2-3,12H2,1H3
InChIKeyXOFIVGPUXALVCN-UHFFFAOYSA-N
XLogP4.38
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-butoxy-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-butoxy-2,6-dipyridin-2-ylpyridine (CID 11077609) is 4-butoxy-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-butoxy-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-butoxy-2,6-dipyridin-2-ylpyridine is CCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-butoxy-2,6-dipyridin-2-ylpyridine?
The InChIKey is XOFIVGPUXALVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-3-12-23-15-13-18(16-8-4-6-10-20-16)22-19(14-15)17-9-5-7-11-21-17/h4-11,13-14H,2-3,12H2,1H3.
What are the key properties of 4-butoxy-2,6-dipyridin-2-ylpyridine?
4-butoxy-2,6-dipyridin-2-ylpyridine has a molecular weight of 305.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 11077609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).