2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine

C14H12Cl4N2O3 — CID 70622901

IUPAC2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine
SMILESClC(Cl)(COCC(Cl)(Cl)Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C14H12Cl4N2O3/c15-13(16,22-11-5-1-3-7-19-11)9-21-10-14(17,18)23-12-6-2-4-8-20-12/h1-8H,9-10H2
InChIKeyFANPKNSOXTWJSJ-UHFFFAOYSA-N
MW398.07 g/mol
LogP4.21
Rot. Bonds8

About 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine

2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine (PubChem CID 70622901) has the molecular formula C14H12Cl4N2O3 and a molecular weight of 398.07 g/mol. Its IUPAC name is 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine
PubChem CID70622901
Molecular FormulaC14H12Cl4N2O3
Molecular Weight398.07 g/mol
Exact Mass395.96
IUPAC Name2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine
SMILESClC(Cl)(COCC(Cl)(Cl)Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C14H12Cl4N2O3/c15-13(16,22-11-5-1-3-7-19-11)9-21-10-14(17,18)23-12-6-2-4-8-20-12/h1-8H,9-10H2
InChIKeyFANPKNSOXTWJSJ-UHFFFAOYSA-N
XLogP4.21
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.07
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine?
The IUPAC name of 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine (CID 70622901) is 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine.
What is the SMILES notation for 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine?
The canonical SMILES for 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine is ClC(Cl)(COCC(Cl)(Cl)Oc1ccccn1)Oc1ccccn1.
What is the InChIKey of 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine?
The InChIKey is FANPKNSOXTWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl4N2O3/c15-13(16,22-11-5-1-3-7-19-11)9-21-10-14(17,18)23-12-6-2-4-8-20-12/h1-8H,9-10H2.
What are the key properties of 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine?
2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine has a molecular weight of 398.07 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-dichloro-2-(2,2-dichloro-2-pyridin-2-yloxyethoxy)ethoxy]pyridine is sourced from PubChem (CID 70622901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).