4-dodecoxy-2,6-dipyridin-2-ylpyridine

C27H35N3O — CID 10884252

IUPAC4-dodecoxy-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C27H35N3O/c1-2-3-4-5-6-7-8-9-10-15-20-31-23-21-26(24-16-11-13-18-28-24)30-27(22-23)25-17-12-14-19-29-25/h11-14,16-19,21-22H,2-10,15,20H2,1H3
InChIKeyDXBPDPGNWQKPLO-UHFFFAOYSA-N
MW417.60 g/mol
LogP7.51
Rot. Bonds14

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

4-dodecoxy-2,6-dipyridin-2-ylpyridine (PubChem CID 10884252) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is 4-dodecoxy-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-dodecoxy-2,6-dipyridin-2-ylpyridine
PubChem CID10884252
Molecular FormulaC27H35N3O
Molecular Weight417.60 g/mol
Exact Mass417.28
IUPAC Name4-dodecoxy-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C27H35N3O/c1-2-3-4-5-6-7-8-9-10-15-20-31-23-21-26(24-16-11-13-18-28-24)30-27(22-23)25-17-12-14-19-29-25/h11-14,16-19,21-22H,2-10,15,20H2,1H3
InChIKeyDXBPDPGNWQKPLO-UHFFFAOYSA-N
XLogP7.51
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 57.51
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-dodecoxy-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-dodecoxy-2,6-dipyridin-2-ylpyridine (CID 10884252) is 4-dodecoxy-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-dodecoxy-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-dodecoxy-2,6-dipyridin-2-ylpyridine is CCCCCCCCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-dodecoxy-2,6-dipyridin-2-ylpyridine?
The InChIKey is DXBPDPGNWQKPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O/c1-2-3-4-5-6-7-8-9-10-15-20-31-23-21-26(24-16-11-13-18-28-24)30-27(22-23)25-17-12-14-19-29-25/h11-14,16-19,21-22H,2-10,15,20H2,1H3.
What are the key properties of 4-dodecoxy-2,6-dipyridin-2-ylpyridine?
4-dodecoxy-2,6-dipyridin-2-ylpyridine has a molecular weight of 417.60 g/mol, XLogP of 7.51, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecoxy-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 10884252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).