(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

C10H9F3N2O4 — CID 46696653

IUPAC(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESNC(=O)COC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-19-8-2-1-6(3-15-8)9(17)18-4-7(14)16/h1-3H,4-5H2,(H2,14,16)
InChIKeyPCRZMDDZUOPUHF-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.66
Rot. Bonds5

About (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (PubChem CID 46696653) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
PubChem CID46696653
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESNC(=O)COC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-19-8-2-1-6(3-15-8)9(17)18-4-7(14)16/h1-3H,4-5H2,(H2,14,16)
InChIKeyPCRZMDDZUOPUHF-UHFFFAOYSA-N
XLogP0.66
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (CID 46696653) is (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is NC(=O)COC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The InChIKey is PCRZMDDZUOPUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)5-19-8-2-1-6(3-15-8)9(17)18-4-7(14)16/h1-3H,4-5H2,(H2,14,16).
What are the key properties of (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate has a molecular weight of 278.19 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 46696653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).