methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate

C10H10FNO4 — CID 135442571

IUPACmethyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1c(O)cccc1F
InChIInChI=1S/C10H10FNO4/c1-15-10(14)9(12-16-2)8-6(11)4-3-5-7(8)13/h3-5,13H,1-2H3/b12-9+
InChIKeyDYBSDBCHUSHPMV-FMIVXFBMSA-N
MW227.19 g/mol
LogP1.05
Rot. Bonds3

About methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate

methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate (PubChem CID 135442571) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate
PubChem CID135442571
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Namemethyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1c(O)cccc1F
InChIInChI=1S/C10H10FNO4/c1-15-10(14)9(12-16-2)8-6(11)4-3-5-7(8)13/h3-5,13H,1-2H3/b12-9+
InChIKeyDYBSDBCHUSHPMV-FMIVXFBMSA-N
XLogP1.05
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate?
The IUPAC name of methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate (CID 135442571) is methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate is CO/N=C(/C(=O)OC)c1c(O)cccc1F.
What is the InChIKey of methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate?
The InChIKey is DYBSDBCHUSHPMV-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-15-10(14)9(12-16-2)8-6(11)4-3-5-7(8)13/h3-5,13H,1-2H3/b12-9+.
What are the key properties of methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate?
methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate has a molecular weight of 227.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(2-fluoro-6-hydroxyphenyl)-2-methoxyiminoacetate is sourced from PubChem (CID 135442571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).