4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid

C13H13F3N2O5 — CID 120526153

IUPAC4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(OCC(F)(F)F)n2)CCO1
InChIInChI=1S/C13H13F3N2O5/c14-13(15,16)7-23-10-3-1-2-8(17-10)11(19)18-4-5-22-9(6-18)12(20)21/h1-3,9H,4-7H2,(H,20,21)
InChIKeyGIWJFZOMBUQUIB-UHFFFAOYSA-N
MW334.25 g/mol
LogP0.95
Rot. Bonds4

About 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid

4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid (PubChem CID 120526153) has the molecular formula C13H13F3N2O5 and a molecular weight of 334.25 g/mol. Its IUPAC name is 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid
PubChem CID120526153
Molecular FormulaC13H13F3N2O5
Molecular Weight334.25 g/mol
Exact Mass334.08
IUPAC Name4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(OCC(F)(F)F)n2)CCO1
InChIInChI=1S/C13H13F3N2O5/c14-13(15,16)7-23-10-3-1-2-8(17-10)11(19)18-4-5-22-9(6-18)12(20)21/h1-3,9H,4-7H2,(H,20,21)
InChIKeyGIWJFZOMBUQUIB-UHFFFAOYSA-N
XLogP0.95
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid (CID 120526153) is 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cccc(OCC(F)(F)F)n2)CCO1.
What is the InChIKey of 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is GIWJFZOMBUQUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O5/c14-13(15,16)7-23-10-3-1-2-8(17-10)11(19)18-4-5-22-9(6-18)12(20)21/h1-3,9H,4-7H2,(H,20,21).
What are the key properties of 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid?
4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 334.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 120526153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).