4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine

C14H8N2 — CID 642802

IUPAC4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine
SMILESC(C#Cc1ccncc1)#Cc1ccncc1
InChIInChI=1S/C14H8N2/c1(3-13-5-9-15-10-6-13)2-4-14-7-11-16-12-8-14/h5-12H
InChIKeyBKRBETINLDNENR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.88
Rot. Bonds

About 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine

4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine (PubChem CID 642802) has the molecular formula C14H8N2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine.

Molecular Properties

Compound Name4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine
PubChem CID642802
Molecular FormulaC14H8N2
Molecular Weight204.23 g/mol
Exact Mass204.07
IUPAC Name4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine
SMILESC(C#Cc1ccncc1)#Cc1ccncc1
InChIInChI=1S/C14H8N2/c1(3-13-5-9-15-10-6-13)2-4-14-7-11-16-12-8-14/h5-12H
InChIKeyBKRBETINLDNENR-UHFFFAOYSA-N
XLogP1.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-pyridin-4-ylbuta-1,3-diynyl)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 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine?
The IUPAC name of 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine (CID 642802) is 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine.
What is the SMILES notation for 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine?
The canonical SMILES for 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine is C(C#Cc1ccncc1)#Cc1ccncc1.
What is the InChIKey of 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine?
The InChIKey is BKRBETINLDNENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2/c1(3-13-5-9-15-10-6-13)2-4-14-7-11-16-12-8-14/h5-12H.
What are the key properties of 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine?
4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine has a molecular weight of 204.23 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine is sourced from PubChem (CID 642802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).