2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine

C11H13ClN2 — CID 91204205

IUPAC2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine
SMILESCN1CC(C=Cc2cccnc2Cl)C1
InChIInChI=1S/C11H13ClN2/c1-14-7-9(8-14)4-5-10-3-2-6-13-11(10)12/h2-6,9H,7-8H2,1H3
InChIKeyXEKFLZAKMIFZFS-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.31
Rot. Bonds2

About 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine

2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine (PubChem CID 91204205) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine
PubChem CID91204205
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine
SMILESCN1CC(C=Cc2cccnc2Cl)C1
InChIInChI=1S/C11H13ClN2/c1-14-7-9(8-14)4-5-10-3-2-6-13-11(10)12/h2-6,9H,7-8H2,1H3
InChIKeyXEKFLZAKMIFZFS-UHFFFAOYSA-N
XLogP2.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine?
The IUPAC name of 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine (CID 91204205) is 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine.
What is the SMILES notation for 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine?
The canonical SMILES for 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine is CN1CC(C=Cc2cccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine?
The InChIKey is XEKFLZAKMIFZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-14-7-9(8-14)4-5-10-3-2-6-13-11(10)12/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine?
2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine has a molecular weight of 208.69 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine is sourced from PubChem (CID 91204205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).