4-[(E)-2-phenylethenyl]pyridine

C13H11N — CID 641098

IUPAC4-[(E)-2-phenylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccccc1
InChIInChI=1S/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H/b7-6+
InChIKeyQKHRGPYNTXRMSL-VOTSOKGWSA-N
MW181.24 g/mol
LogP3.25
Rot. Bonds2

About 4-[(E)-2-phenylethenyl]pyridine

4-[(E)-2-phenylethenyl]pyridine (PubChem CID 641098) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]pyridine
PubChem CID641098
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name4-[(E)-2-phenylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccccc1
InChIInChI=1S/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H/b7-6+
InChIKeyQKHRGPYNTXRMSL-VOTSOKGWSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]pyridine?
The IUPAC name of 4-[(E)-2-phenylethenyl]pyridine (CID 641098) is 4-[(E)-2-phenylethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-phenylethenyl]pyridine is C(=C/c1ccncc1)\c1ccccc1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]pyridine?
The InChIKey is QKHRGPYNTXRMSL-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H/b7-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]pyridine?
4-[(E)-2-phenylethenyl]pyridine has a molecular weight of 181.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]pyridine is sourced from PubChem (CID 641098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).