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

C13H12FNO2 — CID 16752719

IUPAC5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol
SMILESCCc1ccc(Oc2cccc(F)n2)c(O)c1
InChIInChI=1S/C13H12FNO2/c1-2-9-6-7-11(10(16)8-9)17-13-5-3-4-12(14)15-13/h3-8,16H,2H2,1H3
InChIKeyRSSTZQXYNAGANY-UHFFFAOYSA-N
MW233.24 g/mol
LogP3.28
Rot. Bonds3

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

5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol (PubChem CID 16752719) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol
PubChem CID16752719
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol
SMILESCCc1ccc(Oc2cccc(F)n2)c(O)c1
InChIInChI=1S/C13H12FNO2/c1-2-9-6-7-11(10(16)8-9)17-13-5-3-4-12(14)15-13/h3-8,16H,2H2,1H3
InChIKeyRSSTZQXYNAGANY-UHFFFAOYSA-N
XLogP3.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 53.28
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-2-[(6-fluoro-2-pyridinyl)oxy]phenol?
The IUPAC name of 5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol (CID 16752719) is 5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol?
The canonical SMILES for 5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol is CCc1ccc(Oc2cccc(F)n2)c(O)c1.
What is the InChIKey of 5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol?
The InChIKey is RSSTZQXYNAGANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-2-9-6-7-11(10(16)8-9)17-13-5-3-4-12(14)15-13/h3-8,16H,2H2,1H3.
What are the key properties of 5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol?
5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol has a molecular weight of 233.24 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 16752719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).