4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine

C15H15NO2 — CID 754773

IUPAC4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine
SMILESCOc1cccc(/C=C/c2ccncc2)c1OC
InChIInChI=1S/C15H15NO2/c1-17-14-5-3-4-13(15(14)18-2)7-6-12-8-10-16-11-9-12/h3-11H,1-2H3/b7-6+
InChIKeyHEWDNEROQMJEKI-VOTSOKGWSA-N
MW241.29 g/mol
LogP3.27
Rot. Bonds4

About 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine

4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine (PubChem CID 754773) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine
PubChem CID754773
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine
SMILESCOc1cccc(/C=C/c2ccncc2)c1OC
InChIInChI=1S/C15H15NO2/c1-17-14-5-3-4-13(15(14)18-2)7-6-12-8-10-16-11-9-12/h3-11H,1-2H3/b7-6+
InChIKeyHEWDNEROQMJEKI-VOTSOKGWSA-N
XLogP3.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine (CID 754773) is 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine is COc1cccc(/C=C/c2ccncc2)c1OC.
What is the InChIKey of 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine?
The InChIKey is HEWDNEROQMJEKI-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15NO2/c1-17-14-5-3-4-13(15(14)18-2)7-6-12-8-10-16-11-9-12/h3-11H,1-2H3/b7-6+.
What are the key properties of 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine?
4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine has a molecular weight of 241.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 754773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).