2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine

C20H16ClNO — CID 54030885

IUPAC2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine
SMILESClc1ccc(COc2ccccc2)c(C=Cc2ccccn2)c1
InChIInChI=1S/C20H16ClNO/c21-18-11-9-17(15-23-20-7-2-1-3-8-20)16(14-18)10-12-19-6-4-5-13-22-19/h1-14H,15H2
InChIKeyLFMZKSJNGWIOFI-UHFFFAOYSA-N
MW321.81 g/mol
LogP5.48
Rot. Bonds5

About 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine

2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine (PubChem CID 54030885) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine
PubChem CID54030885
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine
SMILESClc1ccc(COc2ccccc2)c(C=Cc2ccccn2)c1
InChIInChI=1S/C20H16ClNO/c21-18-11-9-17(15-23-20-7-2-1-3-8-20)16(14-18)10-12-19-6-4-5-13-22-19/h1-14H,15H2
InChIKeyLFMZKSJNGWIOFI-UHFFFAOYSA-N
XLogP5.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine?
The IUPAC name of 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine (CID 54030885) is 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine.
What is the SMILES notation for 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine?
The canonical SMILES for 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine is Clc1ccc(COc2ccccc2)c(C=Cc2ccccn2)c1.
What is the InChIKey of 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine?
The InChIKey is LFMZKSJNGWIOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-18-11-9-17(15-23-20-7-2-1-3-8-20)16(14-18)10-12-19-6-4-5-13-22-19/h1-14H,15H2.
What are the key properties of 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine?
2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine has a molecular weight of 321.81 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-chloro-2-(phenoxymethyl)phenyl]ethenyl]pyridine is sourced from PubChem (CID 54030885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).