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

C8H4F5NO4 — CID 118840940

IUPAC4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H4F5NO4/c9-5(10)2-1-3(15)14-6(4(2)7(16)17)18-8(11,12)13/h1,5H,(H,14,15)(H,16,17)
InChIKeyJNCYIJMDEAKKAK-UHFFFAOYSA-N
MW273.11 g/mol
LogP1.91
Rot. Bonds3

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

4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (PubChem CID 118840940) has the molecular formula C8H4F5NO4 and a molecular weight of 273.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
PubChem CID118840940
Molecular FormulaC8H4F5NO4
Molecular Weight273.11 g/mol
Exact Mass273.01
IUPAC Name4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H4F5NO4/c9-5(10)2-1-3(15)14-6(4(2)7(16)17)18-8(11,12)13/h1,5H,(H,14,15)(H,16,17)
InChIKeyJNCYIJMDEAKKAK-UHFFFAOYSA-N
XLogP1.91
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (CID 118840940) is 4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is O=C(O)c1c(C(F)F)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The InChIKey is JNCYIJMDEAKKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO4/c9-5(10)2-1-3(15)14-6(4(2)7(16)17)18-8(11,12)13/h1,5H,(H,14,15)(H,16,17).
What are the key properties of 4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid has a molecular weight of 273.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118840940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).