2,6-bis(pent-1-ynyl)pyridine

C15H17N — CID 12028326

IUPAC2,6-bis(pent-1-ynyl)pyridine
SMILESCCCC#Cc1cccc(C#CCCC)n1
InChIInChI=1S/C15H17N/c1-3-5-7-10-14-12-9-13-15(16-14)11-8-6-4-2/h9,12-13H,3-6H2,1-2H3
InChIKeyUJVPLQLMPWHTET-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.38
Rot. Bonds2

About 2,6-bis(pent-1-ynyl)pyridine

2,6-bis(pent-1-ynyl)pyridine (PubChem CID 12028326) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,6-bis(pent-1-ynyl)pyridine.

Molecular Properties

Compound Name2,6-bis(pent-1-ynyl)pyridine
PubChem CID12028326
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name2,6-bis(pent-1-ynyl)pyridine
SMILESCCCC#Cc1cccc(C#CCCC)n1
InChIInChI=1S/C15H17N/c1-3-5-7-10-14-12-9-13-15(16-14)11-8-6-4-2/h9,12-13H,3-6H2,1-2H3
InChIKeyUJVPLQLMPWHTET-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-bis(pent-1-ynyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(pent-1-ynyl)pyridine?
The IUPAC name of 2,6-bis(pent-1-ynyl)pyridine (CID 12028326) is 2,6-bis(pent-1-ynyl)pyridine.
What is the SMILES notation for 2,6-bis(pent-1-ynyl)pyridine?
The canonical SMILES for 2,6-bis(pent-1-ynyl)pyridine is CCCC#Cc1cccc(C#CCCC)n1.
What is the InChIKey of 2,6-bis(pent-1-ynyl)pyridine?
The InChIKey is UJVPLQLMPWHTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-3-5-7-10-14-12-9-13-15(16-14)11-8-6-4-2/h9,12-13H,3-6H2,1-2H3.
What are the key properties of 2,6-bis(pent-1-ynyl)pyridine?
2,6-bis(pent-1-ynyl)pyridine has a molecular weight of 211.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(pent-1-ynyl)pyridine is sourced from PubChem (CID 12028326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).