2,4,6-tris(but-3-yn-2-yl)pyridine

C17H17N — CID 57244188

IUPAC2,4,6-tris(but-3-yn-2-yl)pyridine
SMILESC#CC(C)c1cc(C(C)C#C)nc(C(C)C#C)c1
InChIInChI=1S/C17H17N/c1-7-12(4)15-10-16(13(5)8-2)18-17(11-15)14(6)9-3/h1-3,10-14H,4-6H3
InChIKeyHGGOBXVGZFCPIC-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.29
Rot. Bonds3

About 2,4,6-tris(but-3-yn-2-yl)pyridine

2,4,6-tris(but-3-yn-2-yl)pyridine (PubChem CID 57244188) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,4,6-tris(but-3-yn-2-yl)pyridine.

Molecular Properties

Compound Name2,4,6-tris(but-3-yn-2-yl)pyridine
PubChem CID57244188
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2,4,6-tris(but-3-yn-2-yl)pyridine
SMILESC#CC(C)c1cc(C(C)C#C)nc(C(C)C#C)c1
InChIInChI=1S/C17H17N/c1-7-12(4)15-10-16(13(5)8-2)18-17(11-15)14(6)9-3/h1-3,10-14H,4-6H3
InChIKeyHGGOBXVGZFCPIC-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(but-3-yn-2-yl)pyridine?
The IUPAC name of 2,4,6-tris(but-3-yn-2-yl)pyridine (CID 57244188) is 2,4,6-tris(but-3-yn-2-yl)pyridine.
What is the SMILES notation for 2,4,6-tris(but-3-yn-2-yl)pyridine?
The canonical SMILES for 2,4,6-tris(but-3-yn-2-yl)pyridine is C#CC(C)c1cc(C(C)C#C)nc(C(C)C#C)c1.
What is the InChIKey of 2,4,6-tris(but-3-yn-2-yl)pyridine?
The InChIKey is HGGOBXVGZFCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-7-12(4)15-10-16(13(5)8-2)18-17(11-15)14(6)9-3/h1-3,10-14H,4-6H3.
What are the key properties of 2,4,6-tris(but-3-yn-2-yl)pyridine?
2,4,6-tris(but-3-yn-2-yl)pyridine has a molecular weight of 235.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(but-3-yn-2-yl)pyridine is sourced from PubChem (CID 57244188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).