3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine

C16H8Cl4N2O2 — CID 2427302

IUPAC3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine
SMILESClc1ccc(Cl)c(Oc2ccc(Oc3nc(Cl)ccc3Cl)cc2)n1
InChIInChI=1S/C16H8Cl4N2O2/c17-11-5-7-13(19)21-15(11)23-9-1-2-10(4-3-9)24-16-12(18)6-8-14(20)22-16/h1-8H
InChIKeyMRNRDFOQXNZICL-UHFFFAOYSA-N
MW402.06 g/mol
LogP6.67
Rot. Bonds4

About 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine

3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine (PubChem CID 2427302) has the molecular formula C16H8Cl4N2O2 and a molecular weight of 402.06 g/mol. Its IUPAC name is 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine
PubChem CID2427302
Molecular FormulaC16H8Cl4N2O2
Molecular Weight402.06 g/mol
Exact Mass399.93
IUPAC Name3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine
SMILESClc1ccc(Cl)c(Oc2ccc(Oc3nc(Cl)ccc3Cl)cc2)n1
InChIInChI=1S/C16H8Cl4N2O2/c17-11-5-7-13(19)21-15(11)23-9-1-2-10(4-3-9)24-16-12(18)6-8-14(20)22-16/h1-8H
InChIKeyMRNRDFOQXNZICL-UHFFFAOYSA-N
XLogP6.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.06
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine?
The IUPAC name of 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine (CID 2427302) is 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine?
The canonical SMILES for 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine is Clc1ccc(Cl)c(Oc2ccc(Oc3nc(Cl)ccc3Cl)cc2)n1.
What is the InChIKey of 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine?
The InChIKey is MRNRDFOQXNZICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl4N2O2/c17-11-5-7-13(19)21-15(11)23-9-1-2-10(4-3-9)24-16-12(18)6-8-14(20)22-16/h1-8H.
What are the key properties of 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine?
3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine has a molecular weight of 402.06 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]pyridine is sourced from PubChem (CID 2427302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).