ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate

C11H11F3N2O4 — CID 2633442

IUPACethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H11F3N2O4/c1-2-20-10(19)15-8(17)6-16-5-7(11(12,13)14)3-4-9(16)18/h3-5H,2,6H2,1H3,(H,15,17,19)
InChIKeyDTARNRFXZUDOCB-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.14
Rot. Bonds3

About ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate

ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate (PubChem CID 2633442) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate
PubChem CID2633442
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Nameethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H11F3N2O4/c1-2-20-10(19)15-8(17)6-16-5-7(11(12,13)14)3-4-9(16)18/h3-5H,2,6H2,1H3,(H,15,17,19)
InChIKeyDTARNRFXZUDOCB-UHFFFAOYSA-N
XLogP1.14
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate (CID 2633442) is ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate is CCOC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate?
The InChIKey is DTARNRFXZUDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-2-20-10(19)15-8(17)6-16-5-7(11(12,13)14)3-4-9(16)18/h3-5H,2,6H2,1H3,(H,15,17,19).
What are the key properties of ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate?
ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate has a molecular weight of 292.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]carbamate is sourced from PubChem (CID 2633442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).