2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine

C21H18FNO2 — CID 22612145

IUPAC2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine
SMILESCOc1ccc(C/C=C/c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO2/c1-24-19-11-7-16(8-12-19)4-2-5-17-6-3-15-23-21(17)25-20-13-9-18(22)10-14-20/h2-3,5-15H,4H2,1H3/b5-2+
InChIKeyPTEDIQHORQKGNP-GORDUTHDSA-N
MW335.38 g/mol
LogP5.28
Rot. Bonds6

About 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine

2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine (PubChem CID 22612145) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine
PubChem CID22612145
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine
SMILESCOc1ccc(C/C=C/c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO2/c1-24-19-11-7-16(8-12-19)4-2-5-17-6-3-15-23-21(17)25-20-13-9-18(22)10-14-20/h2-3,5-15H,4H2,1H3/b5-2+
InChIKeyPTEDIQHORQKGNP-GORDUTHDSA-N
XLogP5.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine?
The IUPAC name of 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine (CID 22612145) is 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine.
What is the SMILES notation for 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine?
The canonical SMILES for 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine is COc1ccc(C/C=C/c2cccnc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine?
The InChIKey is PTEDIQHORQKGNP-GORDUTHDSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-24-19-11-7-16(8-12-19)4-2-5-17-6-3-15-23-21(17)25-20-13-9-18(22)10-14-20/h2-3,5-15H,4H2,1H3/b5-2+.
What are the key properties of 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine?
2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine has a molecular weight of 335.38 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-3-[(E)-3-(4-methoxyphenyl)prop-1-enyl]pyridine is sourced from PubChem (CID 22612145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).