3-(4-phenylbuta-1,3-dienyl)pyridine

C15H13N — CID 71359861

IUPAC3-(4-phenylbuta-1,3-dienyl)pyridine
SMILESC(C=Cc1cccnc1)=Cc1ccccc1
InChIInChI=1S/C15H13N/c1-2-7-14(8-3-1)9-4-5-10-15-11-6-12-16-13-15/h1-13H
InChIKeyWCQHKQCBWYWTTF-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.81
Rot. Bonds3

About 3-(4-phenylbuta-1,3-dienyl)pyridine

3-(4-phenylbuta-1,3-dienyl)pyridine (PubChem CID 71359861) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(4-phenylbuta-1,3-dienyl)pyridine.

Molecular Properties

Compound Name3-(4-phenylbuta-1,3-dienyl)pyridine
PubChem CID71359861
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name3-(4-phenylbuta-1,3-dienyl)pyridine
SMILESC(C=Cc1cccnc1)=Cc1ccccc1
InChIInChI=1S/C15H13N/c1-2-7-14(8-3-1)9-4-5-10-15-11-6-12-16-13-15/h1-13H
InChIKeyWCQHKQCBWYWTTF-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1E,3E)-penta-1,3-dienyl]pyridine
CID 173222237
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
CID 142599009
3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine
CID 143368310
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
CID 11817425
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
3-[(E)-3-phenylprop-2-enyl]pyridine
CID 13437688

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylbuta-1,3-dienyl)pyridine?
The IUPAC name of 3-(4-phenylbuta-1,3-dienyl)pyridine (CID 71359861) is 3-(4-phenylbuta-1,3-dienyl)pyridine.
What is the SMILES notation for 3-(4-phenylbuta-1,3-dienyl)pyridine?
The canonical SMILES for 3-(4-phenylbuta-1,3-dienyl)pyridine is C(C=Cc1cccnc1)=Cc1ccccc1.
What is the InChIKey of 3-(4-phenylbuta-1,3-dienyl)pyridine?
The InChIKey is WCQHKQCBWYWTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-7-14(8-3-1)9-4-5-10-15-11-6-12-16-13-15/h1-13H.
What are the key properties of 3-(4-phenylbuta-1,3-dienyl)pyridine?
3-(4-phenylbuta-1,3-dienyl)pyridine has a molecular weight of 207.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylbuta-1,3-dienyl)pyridine is sourced from PubChem (CID 71359861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).