ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate

C12H14F4N2O3 — CID 21198266

IUPACethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate
SMILESCCOC(=O)C(CCCN)Oc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H14F4N2O3/c1-2-20-12(19)6(4-3-5-17)21-9-7(13)10(15)18-11(16)8(9)14/h6H,2-5,17H2,1H3
InChIKeyCDYNTOFGMUFMPF-UHFFFAOYSA-N
MW310.25 g/mol
LogP1.69
Rot. Bonds7

About ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate

ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate (PubChem CID 21198266) has the molecular formula C12H14F4N2O3 and a molecular weight of 310.25 g/mol. Its IUPAC name is ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate
PubChem CID21198266
Molecular FormulaC12H14F4N2O3
Molecular Weight310.25 g/mol
Exact Mass310.09
IUPAC Nameethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate
SMILESCCOC(=O)C(CCCN)Oc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H14F4N2O3/c1-2-20-12(19)6(4-3-5-17)21-9-7(13)10(15)18-11(16)8(9)14/h6H,2-5,17H2,1H3
InChIKeyCDYNTOFGMUFMPF-UHFFFAOYSA-N
XLogP1.69
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate 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 ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate?
The IUPAC name of ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate (CID 21198266) is ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate.
What is the SMILES notation for ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate?
The canonical SMILES for ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate is CCOC(=O)C(CCCN)Oc1c(F)c(F)nc(F)c1F.
What is the InChIKey of ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate?
The InChIKey is CDYNTOFGMUFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O3/c1-2-20-12(19)6(4-3-5-17)21-9-7(13)10(15)18-11(16)8(9)14/h6H,2-5,17H2,1H3.
What are the key properties of ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate?
ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate has a molecular weight of 310.25 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]pentanoate is sourced from PubChem (CID 21198266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).