3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol

C11H5Cl4NO2 — CID 86257010

IUPAC3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol
SMILESOc1cccc(Oc2c(Cl)c(Cl)nc(Cl)c2Cl)c1
InChIInChI=1S/C11H5Cl4NO2/c12-7-9(8(13)11(15)16-10(7)14)18-6-3-1-2-5(17)4-6/h1-4,17H
InChIKeyCLAQJSOFYRJBHF-UHFFFAOYSA-N
MW324.98 g/mol
LogP5.19
Rot. Bonds2

About 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol

3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol (PubChem CID 86257010) has the molecular formula C11H5Cl4NO2 and a molecular weight of 324.98 g/mol. Its IUPAC name is 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol
PubChem CID86257010
Molecular FormulaC11H5Cl4NO2
Molecular Weight324.98 g/mol
Exact Mass322.91
IUPAC Name3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol
SMILESOc1cccc(Oc2c(Cl)c(Cl)nc(Cl)c2Cl)c1
InChIInChI=1S/C11H5Cl4NO2/c12-7-9(8(13)11(15)16-10(7)14)18-6-3-1-2-5(17)4-6/h1-4,17H
InChIKeyCLAQJSOFYRJBHF-UHFFFAOYSA-N
XLogP5.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.98
LogP ≤ 55.19
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 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol?
The IUPAC name of 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol (CID 86257010) is 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol.
What is the SMILES notation for 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol?
The canonical SMILES for 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol is Oc1cccc(Oc2c(Cl)c(Cl)nc(Cl)c2Cl)c1.
What is the InChIKey of 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol?
The InChIKey is CLAQJSOFYRJBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4NO2/c12-7-9(8(13)11(15)16-10(7)14)18-6-3-1-2-5(17)4-6/h1-4,17H.
What are the key properties of 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol?
3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol has a molecular weight of 324.98 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol is sourced from PubChem (CID 86257010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).