3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane

C17H19N — CID 143898131

IUPAC3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane
SMILESC=CC(=C)c1cccc(-c2cccnc2)c1.CC
InChIInChI=1S/C15H13N.C2H6/c1-3-12(2)13-6-4-7-14(10-13)15-8-5-9-16-11-15;1-2/h3-11H,1-2H2;1-2H3
InChIKeyUWCZBYYWTJGVBT-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.97
Rot. Bonds3

About 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane

3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane (PubChem CID 143898131) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane.

Molecular Properties

Compound Name3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane
PubChem CID143898131
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane
SMILESC=CC(=C)c1cccc(-c2cccnc2)c1.CC
InChIInChI=1S/C15H13N.C2H6/c1-3-12(2)13-6-4-7-14(10-13)15-8-5-9-16-11-15;1-2/h3-11H,1-2H2;1-2H3
InChIKeyUWCZBYYWTJGVBT-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane?
The IUPAC name of 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane (CID 143898131) is 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane.
What is the SMILES notation for 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane?
The canonical SMILES for 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane is C=CC(=C)c1cccc(-c2cccnc2)c1.CC.
What is the InChIKey of 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane?
The InChIKey is UWCZBYYWTJGVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.C2H6/c1-3-12(2)13-6-4-7-14(10-13)15-8-5-9-16-11-15;1-2/h3-11H,1-2H2;1-2H3.
What are the key properties of 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane?
3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane has a molecular weight of 237.35 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-buta-1,3-dien-2-ylphenyl)pyridine;ethane is sourced from PubChem (CID 143898131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).