3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol

C15H13F3N2O3 — CID 949994

IUPAC3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol
SMILESOc1cccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)c1
InChIInChI=1S/C15H13F3N2O3/c16-11-13(23-10-3-1-2-9(21)8-10)12(17)15(19-14(11)18)20-4-6-22-7-5-20/h1-3,8,21H,4-7H2
InChIKeyKJNYOLGEPJHSAG-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.83
Rot. Bonds3

About 3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol

3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol (PubChem CID 949994) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol
PubChem CID949994
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol
SMILESOc1cccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)c1
InChIInChI=1S/C15H13F3N2O3/c16-11-13(23-10-3-1-2-9(21)8-10)12(17)15(19-14(11)18)20-4-6-22-7-5-20/h1-3,8,21H,4-7H2
InChIKeyKJNYOLGEPJHSAG-UHFFFAOYSA-N
XLogP2.83
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol?
The IUPAC name of 3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol (CID 949994) is 3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol.
What is the SMILES notation for 3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol?
The canonical SMILES for 3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol is Oc1cccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)c1.
What is the InChIKey of 3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol?
The InChIKey is KJNYOLGEPJHSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c16-11-13(23-10-3-1-2-9(21)8-10)12(17)15(19-14(11)18)20-4-6-22-7-5-20/h1-3,8,21H,4-7H2.
What are the key properties of 3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol?
3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol has a molecular weight of 326.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]phenol is sourced from PubChem (CID 949994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).