3-[4-(4-but-3-enylphenyl)phenyl]pyridine

C21H19N — CID 142377075

IUPAC3-[4-(4-but-3-enylphenyl)phenyl]pyridine
SMILESC=CCCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C21H19N/c1-2-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-6-4-15-22-16-21/h2,4,6-16H,1,3,5H2
InChIKeyRLLAVGFSFMUYIS-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.53
Rot. Bonds5

About 3-[4-(4-but-3-enylphenyl)phenyl]pyridine

3-[4-(4-but-3-enylphenyl)phenyl]pyridine (PubChem CID 142377075) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[4-(4-but-3-enylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-(4-but-3-enylphenyl)phenyl]pyridine
PubChem CID142377075
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name3-[4-(4-but-3-enylphenyl)phenyl]pyridine
SMILESC=CCCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C21H19N/c1-2-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-6-4-15-22-16-21/h2,4,6-16H,1,3,5H2
InChIKeyRLLAVGFSFMUYIS-UHFFFAOYSA-N
XLogP5.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-(4-but-3-enylphenyl)phenyl]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 3-[4-(4-but-3-enylphenyl)phenyl]pyridine?
The IUPAC name of 3-[4-(4-but-3-enylphenyl)phenyl]pyridine (CID 142377075) is 3-[4-(4-but-3-enylphenyl)phenyl]pyridine.
What is the SMILES notation for 3-[4-(4-but-3-enylphenyl)phenyl]pyridine?
The canonical SMILES for 3-[4-(4-but-3-enylphenyl)phenyl]pyridine is C=CCCc1ccc(-c2ccc(-c3cccnc3)cc2)cc1.
What is the InChIKey of 3-[4-(4-but-3-enylphenyl)phenyl]pyridine?
The InChIKey is RLLAVGFSFMUYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-3-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-6-4-15-22-16-21/h2,4,6-16H,1,3,5H2.
What are the key properties of 3-[4-(4-but-3-enylphenyl)phenyl]pyridine?
3-[4-(4-but-3-enylphenyl)phenyl]pyridine has a molecular weight of 285.39 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-but-3-enylphenyl)phenyl]pyridine is sourced from PubChem (CID 142377075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).