6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid

C9H8F3NO3 — CID 63937207

IUPAC6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H8F3NO3/c1-5-2-3-6(8(15)16)7(14)13(5)4-9(10,11)12/h2-3H,4H2,1H3,(H,15,16)
InChIKeyWUHCWFUQNULJGO-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.42
Rot. Bonds2

About 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid

6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid (PubChem CID 63937207) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
PubChem CID63937207
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(F)(F)F
InChIInChI=1S/C9H8F3NO3/c1-5-2-3-6(8(15)16)7(14)13(5)4-9(10,11)12/h2-3H,4H2,1H3,(H,15,16)
InChIKeyWUHCWFUQNULJGO-UHFFFAOYSA-N
XLogP1.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid (CID 63937207) is 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1CC(F)(F)F.
What is the InChIKey of 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
The InChIKey is WUHCWFUQNULJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5-2-3-6(8(15)16)7(14)13(5)4-9(10,11)12/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63937207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).