methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate

C8H7Cl2FN2O3 — CID 5463802

IUPACmethyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C8H7Cl2FN2O3/c1-15-3(14)2-16-8-5(10)6(12)4(9)7(11)13-8/h2H2,1H3,(H2,12,13)
InChIKeyGIIKFBXVGYJLEK-UHFFFAOYSA-N
MW269.06 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate

methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (PubChem CID 5463802) has the molecular formula C8H7Cl2FN2O3 and a molecular weight of 269.06 g/mol. Its IUPAC name is methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
PubChem CID5463802
Molecular FormulaC8H7Cl2FN2O3
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Namemethyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C8H7Cl2FN2O3/c1-15-3(14)2-16-8-5(10)6(12)4(9)7(11)13-8/h2H2,1H3,(H2,12,13)
InChIKeyGIIKFBXVGYJLEK-UHFFFAOYSA-N
XLogP1.66
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate 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 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The IUPAC name of methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CID 5463802) is methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The canonical SMILES for methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is COC(=O)COc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The InChIKey is GIIKFBXVGYJLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FN2O3/c1-15-3(14)2-16-8-5(10)6(12)4(9)7(11)13-8/h2H2,1H3,(H2,12,13).
What are the key properties of methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate has a molecular weight of 269.06 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 5463802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).