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

C10H11Cl2FN2O3 — CID 167082569

IUPACpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCCCOC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C10H11Cl2FN2O3/c1-2-3-17-5(16)4-18-10-7(12)8(14)6(11)9(13)15-10/h2-4H2,1H3,(H2,14,15)
InChIKeyITIRBYIVWVLXEB-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.44
Rot. Bonds5

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

propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (PubChem CID 167082569) has the molecular formula C10H11Cl2FN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Namepropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
PubChem CID167082569
Molecular FormulaC10H11Cl2FN2O3
Molecular Weight297.11 g/mol
Exact Mass296.01
IUPAC Namepropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCCCOC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C10H11Cl2FN2O3/c1-2-3-17-5(16)4-18-10-7(12)8(14)6(11)9(13)15-10/h2-4H2,1H3,(H2,14,15)
InChIKeyITIRBYIVWVLXEB-UHFFFAOYSA-N
XLogP2.44
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.44
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 propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The IUPAC name of propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CID 167082569) is propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The canonical SMILES for propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is CCCOC(=O)COc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The InChIKey is ITIRBYIVWVLXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FN2O3/c1-2-3-17-5(16)4-18-10-7(12)8(14)6(11)9(13)15-10/h2-4H2,1H3,(H2,14,15).
What are the key properties of propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate has a molecular weight of 297.11 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 167082569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).