3-[2-(2-chlorophenyl)ethenyl]pyridine

C13H10ClN — CID 70452077

IUPAC3-[2-(2-chlorophenyl)ethenyl]pyridine
SMILESClc1ccccc1C=Cc1cccnc1
InChIInChI=1S/C13H10ClN/c14-13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11/h1-10H
InChIKeyDGEFNZUHNDTKKS-UHFFFAOYSA-N
MW215.68 g/mol
LogP3.91
Rot. Bonds2

About 3-[2-(2-chlorophenyl)ethenyl]pyridine

3-[2-(2-chlorophenyl)ethenyl]pyridine (PubChem CID 70452077) has the molecular formula C13H10ClN and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)ethenyl]pyridine
PubChem CID70452077
Molecular FormulaC13H10ClN
Molecular Weight215.68 g/mol
Exact Mass215.05
IUPAC Name3-[2-(2-chlorophenyl)ethenyl]pyridine
SMILESClc1ccccc1C=Cc1cccnc1
InChIInChI=1S/C13H10ClN/c14-13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11/h1-10H
InChIKeyDGEFNZUHNDTKKS-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)ethenyl]pyridine?
The IUPAC name of 3-[2-(2-chlorophenyl)ethenyl]pyridine (CID 70452077) is 3-[2-(2-chlorophenyl)ethenyl]pyridine.
What is the SMILES notation for 3-[2-(2-chlorophenyl)ethenyl]pyridine?
The canonical SMILES for 3-[2-(2-chlorophenyl)ethenyl]pyridine is Clc1ccccc1C=Cc1cccnc1.
What is the InChIKey of 3-[2-(2-chlorophenyl)ethenyl]pyridine?
The InChIKey is DGEFNZUHNDTKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN/c14-13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11/h1-10H.
What are the key properties of 3-[2-(2-chlorophenyl)ethenyl]pyridine?
3-[2-(2-chlorophenyl)ethenyl]pyridine has a molecular weight of 215.68 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)ethenyl]pyridine is sourced from PubChem (CID 70452077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).