2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C13H9F4NO3 — CID 59191343

IUPAC2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESOc1cc(C(O)C(F)(F)F)ccc1Oc1cccc(F)n1
InChIInChI=1S/C13H9F4NO3/c14-10-2-1-3-11(18-10)21-9-5-4-7(6-8(9)19)12(20)13(15,16)17/h1-6,12,19-20H
InChIKeyPHHYWTZCLMDQLC-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.31
Rot. Bonds3

About 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 59191343) has the molecular formula C13H9F4NO3 and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID59191343
Molecular FormulaC13H9F4NO3
Molecular Weight303.21 g/mol
Exact Mass303.05
IUPAC Name2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESOc1cc(C(O)C(F)(F)F)ccc1Oc1cccc(F)n1
InChIInChI=1S/C13H9F4NO3/c14-10-2-1-3-11(18-10)21-9-5-4-7(6-8(9)19)12(20)13(15,16)17/h1-6,12,19-20H
InChIKeyPHHYWTZCLMDQLC-UHFFFAOYSA-N
XLogP3.31
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
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 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 59191343) is 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol is Oc1cc(C(O)C(F)(F)F)ccc1Oc1cccc(F)n1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is PHHYWTZCLMDQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO3/c14-10-2-1-3-11(18-10)21-9-5-4-7(6-8(9)19)12(20)13(15,16)17/h1-6,12,19-20H.
What are the key properties of 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol has a molecular weight of 303.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)oxy]-5-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 59191343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).