2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C11H13F3N2O4 — CID 62814294

IUPAC2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCCOCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)7-19-3-4-20-10(18)6-16-5-8(15)1-2-9(16)17/h1-2,5H,3-4,6-7,15H2
InChIKeyUDCVIAUCDTYECQ-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.55
Rot. Bonds6

About 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62814294) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62814294
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCCOCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)7-19-3-4-20-10(18)6-16-5-8(15)1-2-9(16)17/h1-2,5H,3-4,6-7,15H2
InChIKeyUDCVIAUCDTYECQ-UHFFFAOYSA-N
XLogP0.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62814294) is 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is Nc1ccc(=O)n(CC(=O)OCCOCC(F)(F)F)c1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is UDCVIAUCDTYECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)7-19-3-4-20-10(18)6-16-5-8(15)1-2-9(16)17/h1-2,5H,3-4,6-7,15H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 294.23 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62814294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).