2-chloro-6-(3-ethylpiperidin-1-yl)pyridine

C12H17ClN2 — CID 63588602

IUPAC2-chloro-6-(3-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCCN(c2cccc(Cl)n2)C1
InChIInChI=1S/C12H17ClN2/c1-2-10-5-4-8-15(9-10)12-7-3-6-11(13)14-12/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyTXHCBPMEUAYNCI-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.36
Rot. Bonds2

About 2-chloro-6-(3-ethylpiperidin-1-yl)pyridine

2-chloro-6-(3-ethylpiperidin-1-yl)pyridine (PubChem CID 63588602) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-6-(3-ethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-ethylpiperidin-1-yl)pyridine
PubChem CID63588602
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-6-(3-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCCN(c2cccc(Cl)n2)C1
InChIInChI=1S/C12H17ClN2/c1-2-10-5-4-8-15(9-10)12-7-3-6-11(13)14-12/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyTXHCBPMEUAYNCI-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.36
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-6-(3-ethylpiperidin-1-yl)pyridine?
The IUPAC name of 2-chloro-6-(3-ethylpiperidin-1-yl)pyridine (CID 63588602) is 2-chloro-6-(3-ethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-ethylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-6-(3-ethylpiperidin-1-yl)pyridine is CCC1CCCN(c2cccc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3-ethylpiperidin-1-yl)pyridine?
The InChIKey is TXHCBPMEUAYNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-10-5-4-8-15(9-10)12-7-3-6-11(13)14-12/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of 2-chloro-6-(3-ethylpiperidin-1-yl)pyridine?
2-chloro-6-(3-ethylpiperidin-1-yl)pyridine has a molecular weight of 224.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-ethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 63588602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).