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

C9H6F3NO3 — CID 170699892

IUPAC4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESC=Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C9H6F3NO3/c1-2-4-3-5(9(10,11)12)13-7(14)6(4)8(15)16/h2-3H,1H2,(H,13,14)(H,15,16)
InChIKeyYRRUIVKLGGIPJE-UHFFFAOYSA-N
MW233.14 g/mol
LogP1.73
Rot. Bonds2

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

4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (PubChem CID 170699892) has the molecular formula C9H6F3NO3 and a molecular weight of 233.14 g/mol. Its IUPAC name is 4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
PubChem CID170699892
Molecular FormulaC9H6F3NO3
Molecular Weight233.14 g/mol
Exact Mass233.03
IUPAC Name4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESC=Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C9H6F3NO3/c1-2-4-3-5(9(10,11)12)13-7(14)6(4)8(15)16/h2-3H,1H2,(H,13,14)(H,15,16)
InChIKeyYRRUIVKLGGIPJE-UHFFFAOYSA-N
XLogP1.73
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 3152509
4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 247444
6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 13543671
2-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid
CID 277833
2-Hydroxy-6-(trifluoromethyl)nicotinic acid
CID 2775116
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
1,4-Dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 22382023
6-(Difluoromethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 68501112
5-Chloro-6-(heptafluoropropyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 86624092
3-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enoic acid
CID 90881385

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (CID 170699892) is 4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is C=Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is YRRUIVKLGGIPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO3/c1-2-4-3-5(9(10,11)12)13-7(14)6(4)8(15)16/h2-3H,1H2,(H,13,14)(H,15,16).
What are the key properties of 4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 233.14 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 170699892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).