2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C9H9F3N2O3 — CID 62815504

IUPAC2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCC(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)5-17-8(16)4-14-3-6(13)1-2-7(14)15/h1-3H,4-5,13H2
InChIKeyMMEDUYWHGJVCNI-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.54
Rot. Bonds3

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

2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62815504) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62815504
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCC(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)5-17-8(16)4-14-3-6(13)1-2-7(14)15/h1-3H,4-5,13H2
InChIKeyMMEDUYWHGJVCNI-UHFFFAOYSA-N
XLogP0.54
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62815504) is 2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is Nc1ccc(=O)n(CC(=O)OCC(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is MMEDUYWHGJVCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)5-17-8(16)4-14-3-6(13)1-2-7(14)15/h1-3H,4-5,13H2.
What are the key properties of 2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 250.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62815504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).