4-ethynyl-2,6-dipyridin-2-ylpyridine

C17H11N3 — CID 10611160

IUPAC4-ethynyl-2,6-dipyridin-2-ylpyridine
SMILESC#Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C17H11N3/c1-2-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15/h1,3-12H
InChIKeyZZANNDBAWDILOJ-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.19
Rot. Bonds2

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

4-ethynyl-2,6-dipyridin-2-ylpyridine (PubChem CID 10611160) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-ethynyl-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-ethynyl-2,6-dipyridin-2-ylpyridine
PubChem CID10611160
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name4-ethynyl-2,6-dipyridin-2-ylpyridine
SMILESC#Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C17H11N3/c1-2-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15/h1,3-12H
InChIKeyZZANNDBAWDILOJ-UHFFFAOYSA-N
XLogP3.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
CID 139139277
cobalt(2+);tris(5-ethynyl-2-pyridin-2-ylpyridine)
CID 175709883
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
4-chloro-2,6-dipyridin-2-ylpyridine;platinum
CID 87267165
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-ethynyl-2,6-dipyridin-2-ylpyridine (CID 10611160) is 4-ethynyl-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-ethynyl-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-ethynyl-2,6-dipyridin-2-ylpyridine is C#Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-ethynyl-2,6-dipyridin-2-ylpyridine?
The InChIKey is ZZANNDBAWDILOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-2-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15/h1,3-12H.
What are the key properties of 4-ethynyl-2,6-dipyridin-2-ylpyridine?
4-ethynyl-2,6-dipyridin-2-ylpyridine has a molecular weight of 257.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 10611160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).