3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine

C13H18Cl2N2O — CID 54990390

IUPAC3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine
SMILESCCOC1CCCN(c2ccc(Cl)c(CCl)n2)C1
InChIInChI=1S/C13H18Cl2N2O/c1-2-18-10-4-3-7-17(9-10)13-6-5-11(15)12(8-14)16-13/h5-6,10H,2-4,7-9H2,1H3
InChIKeyHFRSIRKSDJVDQI-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.48
Rot. Bonds4

About 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine

3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine (PubChem CID 54990390) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine
PubChem CID54990390
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine
SMILESCCOC1CCCN(c2ccc(Cl)c(CCl)n2)C1
InChIInChI=1S/C13H18Cl2N2O/c1-2-18-10-4-3-7-17(9-10)13-6-5-11(15)12(8-14)16-13/h5-6,10H,2-4,7-9H2,1H3
InChIKeyHFRSIRKSDJVDQI-UHFFFAOYSA-N
XLogP3.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine (CID 54990390) is 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine is CCOC1CCCN(c2ccc(Cl)c(CCl)n2)C1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine?
The InChIKey is HFRSIRKSDJVDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-2-18-10-4-3-7-17(9-10)13-6-5-11(15)12(8-14)16-13/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine?
3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine has a molecular weight of 289.21 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(3-ethoxypiperidin-1-yl)pyridine is sourced from PubChem (CID 54990390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).