methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate

C20H15F2N3O5 — CID 11189203

IUPACmethyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)OC)c1ccccc1Oc1ncnc(Oc2cccc(F)c2)c1F
InChIInChI=1S/C20H15F2N3O5/c1-27-20(26)17(25-28-2)14-8-3-4-9-15(14)30-19-16(22)18(23-11-24-19)29-13-7-5-6-12(21)10-13/h3-11H,1-2H3/b25-17-
InChIKeyFGUXMKOYDMNENI-UQQQWYQISA-N
MW415.35 g/mol
LogP3.86
Rot. Bonds7

About methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate

methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate (PubChem CID 11189203) has the molecular formula C20H15F2N3O5 and a molecular weight of 415.35 g/mol. Its IUPAC name is methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate
PubChem CID11189203
Molecular FormulaC20H15F2N3O5
Molecular Weight415.35 g/mol
Exact Mass415.10
IUPAC Namemethyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)OC)c1ccccc1Oc1ncnc(Oc2cccc(F)c2)c1F
InChIInChI=1S/C20H15F2N3O5/c1-27-20(26)17(25-28-2)14-8-3-4-9-15(14)30-19-16(22)18(23-11-24-19)29-13-7-5-6-12(21)10-13/h3-11H,1-2H3/b25-17-
InChIKeyFGUXMKOYDMNENI-UQQQWYQISA-N
XLogP3.86
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate (CID 11189203) is methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate is CO/N=C(\C(=O)OC)c1ccccc1Oc1ncnc(Oc2cccc(F)c2)c1F.
What is the InChIKey of methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate?
The InChIKey is FGUXMKOYDMNENI-UQQQWYQISA-N. The full InChI is InChI=1S/C20H15F2N3O5/c1-27-20(26)17(25-28-2)14-8-3-4-9-15(14)30-19-16(22)18(23-11-24-19)29-13-7-5-6-12(21)10-13/h3-11H,1-2H3/b25-17-.
What are the key properties of methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate?
methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate has a molecular weight of 415.35 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[2-[5-fluoro-6-(3-fluorophenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 11189203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).