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

C11H13Cl2FN2O3 — CID 91753766

IUPACbutyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCCCCOC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C11H13Cl2FN2O3/c1-2-3-4-18-6(17)5-19-11-8(13)9(15)7(12)10(14)16-11/h2-5H2,1H3,(H2,15,16)
InChIKeyVVHLEHKJQJSYBG-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.83
Rot. Bonds6

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

butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (PubChem CID 91753766) has the molecular formula C11H13Cl2FN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Namebutyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
PubChem CID91753766
Molecular FormulaC11H13Cl2FN2O3
Molecular Weight311.14 g/mol
Exact Mass310.03
IUPAC Namebutyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCCCCOC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C11H13Cl2FN2O3/c1-2-3-4-18-6(17)5-19-11-8(13)9(15)7(12)10(14)16-11/h2-5H2,1H3,(H2,15,16)
InChIKeyVVHLEHKJQJSYBG-UHFFFAOYSA-N
XLogP2.83
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The IUPAC name of butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CID 91753766) is butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The canonical SMILES for butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is CCCCOC(=O)COc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The InChIKey is VVHLEHKJQJSYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O3/c1-2-3-4-18-6(17)5-19-11-8(13)9(15)7(12)10(14)16-11/h2-5H2,1H3,(H2,15,16).
What are the key properties of butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate has a molecular weight of 311.14 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 91753766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).