2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid

C14H8F3NO5 — CID 4674349

IUPAC2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(=O)[nH]c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F3NO5/c15-14(16,17)7-3-1-6(2-4-7)10-8(12(20)21)5-9(13(22)23)11(19)18-10/h1-5H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyLKSXLIULWNWRPS-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.46
Rot. Bonds3

About 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid

2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 4674349) has the molecular formula C14H8F3NO5 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
PubChem CID4674349
Molecular FormulaC14H8F3NO5
Molecular Weight327.21 g/mol
Exact Mass327.04
IUPAC Name2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(=O)[nH]c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8F3NO5/c15-14(16,17)7-3-1-6(2-4-7)10-8(12(20)21)5-9(13(22)23)11(19)18-10/h1-5H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyLKSXLIULWNWRPS-UHFFFAOYSA-N
XLogP2.46
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-6-phenyl-1,2-dihydropyridine-3-carboxylic acid
CID 2767304
2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid
CID 2775908
5-ethyl-4-hydroxy-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71282005
2-Hydroxy-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 10242910
2-Hydroxy-6-phenylpyridine-4-carboxylic acid
CID 18422120
6-(3-Methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 29996948
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 4674348
6-(2,4-Difluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 45496333
6-[4-(Trifluoroacetylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid
CID 12837842
4,6-Diethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 20316375
6-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 45496334
2-Methyl-3-phenyl-3-[(trifluoroacetyl)-amino]-2-propenoic acid
CID 53712489

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid (CID 4674349) is 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c(=O)[nH]c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is LKSXLIULWNWRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO5/c15-14(16,17)7-3-1-6(2-4-7)10-8(12(20)21)5-9(13(22)23)11(19)18-10/h1-5H,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid?
2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 327.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 4674349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).