5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine

C20H18N2O — CID 142200300

IUPAC5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine
SMILESCCOc1ccc(/C=C\c2ccc(-c3ccccn3)nc2)cc1
InChIInChI=1S/C20H18N2O/c1-2-23-18-11-8-16(9-12-18)6-7-17-10-13-20(22-15-17)19-5-3-4-14-21-19/h3-15H,2H2,1H3/b7-6-
InChIKeyGSFQWCNSQKDLQC-SREVYHEPSA-N
MW302.38 g/mol
LogP4.71
Rot. Bonds5

About 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine

5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine (PubChem CID 142200300) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine
PubChem CID142200300
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine
SMILESCCOc1ccc(/C=C\c2ccc(-c3ccccn3)nc2)cc1
InChIInChI=1S/C20H18N2O/c1-2-23-18-11-8-16(9-12-18)6-7-17-10-13-20(22-15-17)19-5-3-4-14-21-19/h3-15H,2H2,1H3/b7-6-
InChIKeyGSFQWCNSQKDLQC-SREVYHEPSA-N
XLogP4.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine?
The IUPAC name of 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine (CID 142200300) is 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine?
The canonical SMILES for 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine is CCOc1ccc(/C=C\c2ccc(-c3ccccn3)nc2)cc1.
What is the InChIKey of 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine?
The InChIKey is GSFQWCNSQKDLQC-SREVYHEPSA-N. The full InChI is InChI=1S/C20H18N2O/c1-2-23-18-11-8-16(9-12-18)6-7-17-10-13-20(22-15-17)19-5-3-4-14-21-19/h3-15H,2H2,1H3/b7-6-.
What are the key properties of 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine?
5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine has a molecular weight of 302.38 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine is sourced from PubChem (CID 142200300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).