2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid

C8H4F3NO5 — CID 83401835

IUPAC2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C8H4F3NO5/c9-8(10,11)4-2(6(14)15)1-3(7(16)17)5(13)12-4/h1H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyDORBEYQZLWXHNI-UHFFFAOYSA-N
MW251.12 g/mol
LogP0.79
Rot. Bonds2

About 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid

2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 83401835) has the molecular formula C8H4F3NO5 and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
PubChem CID83401835
Molecular FormulaC8H4F3NO5
Molecular Weight251.12 g/mol
Exact Mass251.00
IUPAC Name2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C8H4F3NO5/c9-8(10,11)4-2(6(14)15)1-3(7(16)17)5(13)12-4/h1H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyDORBEYQZLWXHNI-UHFFFAOYSA-N
XLogP0.79
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid (CID 83401835) is 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is DORBEYQZLWXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO5/c9-8(10,11)4-2(6(14)15)1-3(7(16)17)5(13)12-4/h1H,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid?
2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 251.12 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 83401835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).