5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine

C15H14Cl2N2O — CID 87630915

IUPAC5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine
SMILESClc1ccc(-c2ccc(Cl)c(COC3CNC3)c2)cn1
InChIInChI=1S/C15H14Cl2N2O/c16-14-3-1-10(11-2-4-15(17)19-6-11)5-12(14)9-20-13-7-18-8-13/h1-6,13,18H,7-9H2
InChIKeyRAGIDOMOHSSIKZ-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.54
Rot. Bonds4

About 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine

5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine (PubChem CID 87630915) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine.

Molecular Properties

Compound Name5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine
PubChem CID87630915
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine
SMILESClc1ccc(-c2ccc(Cl)c(COC3CNC3)c2)cn1
InChIInChI=1S/C15H14Cl2N2O/c16-14-3-1-10(11-2-4-15(17)19-6-11)5-12(14)9-20-13-7-18-8-13/h1-6,13,18H,7-9H2
InChIKeyRAGIDOMOHSSIKZ-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine?
The IUPAC name of 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine (CID 87630915) is 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine.
What is the SMILES notation for 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine?
The canonical SMILES for 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine is Clc1ccc(-c2ccc(Cl)c(COC3CNC3)c2)cn1.
What is the InChIKey of 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine?
The InChIKey is RAGIDOMOHSSIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-14-3-1-10(11-2-4-15(17)19-6-11)5-12(14)9-20-13-7-18-8-13/h1-6,13,18H,7-9H2.
What are the key properties of 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine?
5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine has a molecular weight of 309.20 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(azetidin-3-yloxymethyl)-4-chlorophenyl]-2-chloropyridine is sourced from PubChem (CID 87630915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).