6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid

C8H3F6NO4 — CID 134680514

IUPAC6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H3F6NO4/c9-7(10,11)4-2(6(17)18)1-3(16)15-5(4)19-8(12,13)14/h1H,(H,15,16)(H,17,18)
InChIKeyFJZZNUUFFWQOHQ-UHFFFAOYSA-N
MW291.10 g/mol
LogP1.99
Rot. Bonds2

About 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid

6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid (PubChem CID 134680514) has the molecular formula C8H3F6NO4 and a molecular weight of 291.10 g/mol. Its IUPAC name is 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid
PubChem CID134680514
Molecular FormulaC8H3F6NO4
Molecular Weight291.10 g/mol
Exact Mass291.00
IUPAC Name6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H3F6NO4/c9-7(10,11)4-2(6(17)18)1-3(16)15-5(4)19-8(12,13)14/h1H,(H,15,16)(H,17,18)
InChIKeyFJZZNUUFFWQOHQ-UHFFFAOYSA-N
XLogP1.99
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid?
The IUPAC name of 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid (CID 134680514) is 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid?
The InChIKey is FJZZNUUFFWQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO4/c9-7(10,11)4-2(6(17)18)1-3(16)15-5(4)19-8(12,13)14/h1H,(H,15,16)(H,17,18).
What are the key properties of 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid?
6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid has a molecular weight of 291.10 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 134680514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).