2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine

C15H9Cl2N3O2 — CID 22107634

IUPAC2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine
SMILESClc1cc(Oc2cccc(Oc3ccnc(Cl)c3)n2)ccn1
InChIInChI=1S/C15H9Cl2N3O2/c16-12-8-10(4-6-18-12)21-14-2-1-3-15(20-14)22-11-5-7-19-13(17)9-11/h1-9H
InChIKeyLSPIZWPWLPGTDF-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.76
Rot. Bonds4

About 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine

2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine (PubChem CID 22107634) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine.

Molecular Properties

Compound Name2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine
PubChem CID22107634
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine
SMILESClc1cc(Oc2cccc(Oc3ccnc(Cl)c3)n2)ccn1
InChIInChI=1S/C15H9Cl2N3O2/c16-12-8-10(4-6-18-12)21-14-2-1-3-15(20-14)22-11-5-7-19-13(17)9-11/h1-9H
InChIKeyLSPIZWPWLPGTDF-UHFFFAOYSA-N
XLogP4.76
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine?
The IUPAC name of 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine (CID 22107634) is 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine.
What is the SMILES notation for 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine?
The canonical SMILES for 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine is Clc1cc(Oc2cccc(Oc3ccnc(Cl)c3)n2)ccn1.
What is the InChIKey of 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine?
The InChIKey is LSPIZWPWLPGTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-12-8-10(4-6-18-12)21-14-2-1-3-15(20-14)22-11-5-7-19-13(17)9-11/h1-9H.
What are the key properties of 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine?
2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine has a molecular weight of 334.16 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(2-chloro-4-pyridinyl)oxy]pyridine is sourced from PubChem (CID 22107634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).