2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine

C12H15ClN2 — CID 10421135

IUPAC2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine
SMILESClc1ccc(/C=C/C2CCNCC2)cn1
InChIInChI=1S/C12H15ClN2/c13-12-4-3-11(9-15-12)2-1-10-5-7-14-8-6-10/h1-4,9-10,14H,5-8H2/b2-1+
InChIKeyOKWSAYVWSALURI-OWOJBTEDSA-N
MW222.72 g/mol
LogP2.75
Rot. Bonds2

About 2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine

2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine (PubChem CID 10421135) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine
PubChem CID10421135
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine
SMILESClc1ccc(/C=C/C2CCNCC2)cn1
InChIInChI=1S/C12H15ClN2/c13-12-4-3-11(9-15-12)2-1-10-5-7-14-8-6-10/h1-4,9-10,14H,5-8H2/b2-1+
InChIKeyOKWSAYVWSALURI-OWOJBTEDSA-N
XLogP2.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
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-5-[(E)-2-piperidin-4-ylethenyl]pyridine?
The IUPAC name of 2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine (CID 10421135) is 2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine?
The canonical SMILES for 2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine is Clc1ccc(/C=C/C2CCNCC2)cn1.
What is the InChIKey of 2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine?
The InChIKey is OKWSAYVWSALURI-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-12-4-3-11(9-15-12)2-1-10-5-7-14-8-6-10/h1-4,9-10,14H,5-8H2/b2-1+.
What are the key properties of 2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine?
2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine has a molecular weight of 222.72 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(E)-2-piperidin-4-ylethenyl]pyridine is sourced from PubChem (CID 10421135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).