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

C7H5Cl4NO2 — CID 13029611

IUPAC2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol
SMILESOCCOc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C7H5Cl4NO2/c8-3-5(14-2-1-13)4(9)7(11)12-6(3)10/h13H,1-2H2
InChIKeyMDHKOPMXTUEYNI-UHFFFAOYSA-N
MW276.93 g/mol
LogP3.07
Rot. Bonds3

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

2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol (PubChem CID 13029611) has the molecular formula C7H5Cl4NO2 and a molecular weight of 276.93 g/mol. Its IUPAC name is 2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol.

Molecular Properties

Compound Name2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol
PubChem CID13029611
Molecular FormulaC7H5Cl4NO2
Molecular Weight276.93 g/mol
Exact Mass274.91
IUPAC Name2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol
SMILESOCCOc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C7H5Cl4NO2/c8-3-5(14-2-1-13)4(9)7(11)12-6(3)10/h13H,1-2H2
InChIKeyMDHKOPMXTUEYNI-UHFFFAOYSA-N
XLogP3.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.93
LogP ≤ 53.07
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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Related Compounds

2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethanol
CID 62859409
2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 87430184
2-(2,6-dichloro-4-methylphenoxy)ethanol
CID 21396902
2-[(3-amino-5-chloro-4-pyridinyl)oxy]ethanol
CID 130520470
2-[(2-chloro-6-methyl-3-pyridinyl)oxy]ethanol
CID 130686147
2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol
CID 86730942
1,3,5-trichloro-2,4,6-tripropoxybenzene
CID 88760261
4-(2-bromoethoxy)-3,5-dichloro-2,6-dimethylpyridine
CID 572274
2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol
CID 155272542
2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol
CID 54038432
2-[(6-chloro-3-pyridinyl)oxy]ethanol
CID 22036297
2-(2,4,5-trichlorophenoxy)ethanol
CID 87745106

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol?
The IUPAC name of 2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol (CID 13029611) is 2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol.
What is the SMILES notation for 2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol?
The canonical SMILES for 2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol is OCCOc1c(Cl)c(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol?
The InChIKey is MDHKOPMXTUEYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl4NO2/c8-3-5(14-2-1-13)4(9)7(11)12-6(3)10/h13H,1-2H2.
What are the key properties of 2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol?
2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol has a molecular weight of 276.93 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]ethanol is sourced from PubChem (CID 13029611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).