2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine

C21H16F3NO — CID 24898228

IUPAC2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine
SMILESCOc1ccc(/C(=C\c2ccccn2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H16F3NO/c1-26-19-11-7-16(8-12-19)20(14-18-4-2-3-13-25-18)15-5-9-17(10-6-15)21(22,23)24/h2-14H,1H3/b20-14-
InChIKeyJBMZWKPBLUSIEV-ZHZULCJRSA-N
MW355.36 g/mol
LogP5.70
Rot. Bonds4

About 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine

2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine (PubChem CID 24898228) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine
PubChem CID24898228
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine
SMILESCOc1ccc(/C(=C\c2ccccn2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H16F3NO/c1-26-19-11-7-16(8-12-19)20(14-18-4-2-3-13-25-18)15-5-9-17(10-6-15)21(22,23)24/h2-14H,1H3/b20-14-
InChIKeyJBMZWKPBLUSIEV-ZHZULCJRSA-N
XLogP5.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine?
The IUPAC name of 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine (CID 24898228) is 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine.
What is the SMILES notation for 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine?
The canonical SMILES for 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine is COc1ccc(/C(=C\c2ccccn2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine?
The InChIKey is JBMZWKPBLUSIEV-ZHZULCJRSA-N. The full InChI is InChI=1S/C21H16F3NO/c1-26-19-11-7-16(8-12-19)20(14-18-4-2-3-13-25-18)15-5-9-17(10-6-15)21(22,23)24/h2-14H,1H3/b20-14-.
What are the key properties of 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine?
2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine has a molecular weight of 355.36 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridine is sourced from PubChem (CID 24898228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).