5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine

C15H14N2 — CID 91023866

IUPAC5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine
SMILESCc1ccc(C=CC=Cc2ccccn2)nc1
InChIInChI=1S/C15H14N2/c1-13-9-10-15(17-12-13)7-3-2-6-14-8-4-5-11-16-14/h2-12H,1H3
InChIKeyAIQCYSUVMRMQNG-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.51
Rot. Bonds3

About 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine

5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine (PubChem CID 91023866) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine
PubChem CID91023866
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine
SMILESCc1ccc(C=CC=Cc2ccccn2)nc1
InChIInChI=1S/C15H14N2/c1-13-9-10-15(17-12-13)7-3-2-6-14-8-4-5-11-16-14/h2-12H,1H3
InChIKeyAIQCYSUVMRMQNG-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine?
The IUPAC name of 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine (CID 91023866) is 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine.
What is the SMILES notation for 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine?
The canonical SMILES for 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine is Cc1ccc(C=CC=Cc2ccccn2)nc1.
What is the InChIKey of 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine?
The InChIKey is AIQCYSUVMRMQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-13-9-10-15(17-12-13)7-3-2-6-14-8-4-5-11-16-14/h2-12H,1H3.
What are the key properties of 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine?
5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine has a molecular weight of 222.29 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-pyridin-2-ylbuta-1,3-dienyl)pyridine is sourced from PubChem (CID 91023866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).