[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate

C7H4F3NO4 — CID 68503155

IUPAC[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H4F3NO4/c8-7(9,10)4-2-1-3(5(12)11-4)15-6(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyUGLJNTDUKYYIEN-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.45
Rot. Bonds1

About [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate

[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate (PubChem CID 68503155) has the molecular formula C7H4F3NO4 and a molecular weight of 223.11 g/mol. Its IUPAC name is [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate
PubChem CID68503155
Molecular FormulaC7H4F3NO4
Molecular Weight223.11 g/mol
Exact Mass223.01
IUPAC Name[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H4F3NO4/c8-7(9,10)4-2-1-3(5(12)11-4)15-6(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKeyUGLJNTDUKYYIEN-UHFFFAOYSA-N
XLogP1.45
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate?
The IUPAC name of [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate (CID 68503155) is [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate.
What is the SMILES notation for [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate?
The canonical SMILES for [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate is O=C(O)Oc1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate?
The InChIKey is UGLJNTDUKYYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO4/c8-7(9,10)4-2-1-3(5(12)11-4)15-6(13)14/h1-2H,(H,11,12)(H,13,14).
What are the key properties of [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate?
[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate has a molecular weight of 223.11 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate is sourced from PubChem (CID 68503155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).