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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Related Compounds

5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 3152509
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid
CID 277833
2-Hydroxy-6-(trifluoromethyl)nicotinic acid
CID 2775116
6-Hydroxy-2-(trifluoromethyl)nicotinic acid
CID 17984792
5-Acetyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 13232040
6-Ethyl-2-hydroxy-5-methyl-3-pyridinecarboxylic acid
CID 18524021
6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid
CID 251008
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinic acid
CID 16767290
2-(Difluoromethyl)-6-hydroxynicotinic acid
CID 67186515
6-Oxo-2-(pentafluoroethyl)-1,6-dihydropyridine-3-carboxylic acid
CID 86611250
5-Chloro-6-(heptafluoropropyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 86624092
1,2-Dihydro-5-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxylic acid
CID 117800514

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).