[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate

C9H9F3N2O3 — CID 175528482

IUPAC[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate
SMILESCCNC(=O)Oc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3/c1-2-13-8(16)17-5-3-6(9(10,11)12)7(15)14-4-5/h3-4H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyAJZNDDQCKUCESI-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.50
Rot. Bonds2

About [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate

[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate (PubChem CID 175528482) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate
PubChem CID175528482
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate
SMILESCCNC(=O)Oc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3/c1-2-13-8(16)17-5-3-6(9(10,11)12)7(15)14-4-5/h3-4H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyAJZNDDQCKUCESI-UHFFFAOYSA-N
XLogP1.50
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate?
The IUPAC name of [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate (CID 175528482) is [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate.
What is the SMILES notation for [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate?
The canonical SMILES for [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate is CCNC(=O)Oc1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate?
The InChIKey is AJZNDDQCKUCESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-2-13-8(16)17-5-3-6(9(10,11)12)7(15)14-4-5/h3-4H,2H2,1H3,(H,13,16)(H,14,15).
What are the key properties of [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate?
[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate has a molecular weight of 250.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl] N-ethylcarbamate is sourced from PubChem (CID 175528482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).