5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol

C13H11F2NO2 — CID 59191423

IUPAC5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol
SMILESCCc1cc(O)c(Oc2cccc(F)n2)cc1F
InChIInChI=1S/C13H11F2NO2/c1-2-8-6-10(17)11(7-9(8)14)18-13-5-3-4-12(15)16-13/h3-7,17H,2H2,1H3
InChIKeyHFINBFMVVDQLAK-UHFFFAOYSA-N
MW251.23 g/mol
LogP3.42
Rot. Bonds3

About 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol

5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol (PubChem CID 59191423) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol
PubChem CID59191423
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol
SMILESCCc1cc(O)c(Oc2cccc(F)n2)cc1F
InChIInChI=1S/C13H11F2NO2/c1-2-8-6-10(17)11(7-9(8)14)18-13-5-3-4-12(15)16-13/h3-7,17H,2H2,1H3
InChIKeyHFINBFMVVDQLAK-UHFFFAOYSA-N
XLogP3.42
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 53.42
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 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol?
The IUPAC name of 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol (CID 59191423) is 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol?
The canonical SMILES for 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol is CCc1cc(O)c(Oc2cccc(F)n2)cc1F.
What is the InChIKey of 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol?
The InChIKey is HFINBFMVVDQLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-2-8-6-10(17)11(7-9(8)14)18-13-5-3-4-12(15)16-13/h3-7,17H,2H2,1H3.
What are the key properties of 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol?
5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol has a molecular weight of 251.23 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-2-[(6-fluoro-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 59191423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).