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

C17H15F3N2O4 — CID 2055301

IUPACmethyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1
InChIInChI=1S/C17H15F3N2O4/c1-24-17(23)10-2-4-11(5-3-10)26-14-12(18)15(20)21-16(13(14)19)22-6-8-25-9-7-22/h2-5H,6-9H2,1H3
InChIKeyGTUXGHSDXBGHPZ-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.91
Rot. Bonds4

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

methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate (PubChem CID 2055301) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
PubChem CID2055301
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Namemethyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1
InChIInChI=1S/C17H15F3N2O4/c1-24-17(23)10-2-4-11(5-3-10)26-14-12(18)15(20)21-16(13(14)19)22-6-8-25-9-7-22/h2-5H,6-9H2,1H3
InChIKeyGTUXGHSDXBGHPZ-UHFFFAOYSA-N
XLogP2.91
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate (CID 2055301) is methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate is COC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1.
What is the InChIKey of methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate?
The InChIKey is GTUXGHSDXBGHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-24-17(23)10-2-4-11(5-3-10)26-14-12(18)15(20)21-16(13(14)19)22-6-8-25-9-7-22/h2-5H,6-9H2,1H3.
What are the key properties of methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate?
methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate has a molecular weight of 368.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,3,5-trifluoro-6-morpholin-4-yl-4-pyridinyl)oxy]benzoate is sourced from PubChem (CID 2055301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).