1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid

C9H8F3NO3 — CID 22382023

IUPAC1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)n(C)c(=O)c1C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-4-3-5(9(10,11)12)13(2)7(14)6(4)8(15)16/h3H,1-2H3,(H,15,16)
InChIKeyGHVRHWXECJDCOP-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.41
Rot. Bonds1

About 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid

1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 22382023) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID22382023
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)n(C)c(=O)c1C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-4-3-5(9(10,11)12)13(2)7(14)6(4)8(15)16/h3H,1-2H3,(H,15,16)
InChIKeyGHVRHWXECJDCOP-UHFFFAOYSA-N
XLogP1.41
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 22382023) is 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1cc(C(F)(F)F)n(C)c(=O)c1C(=O)O.
What is the InChIKey of 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is GHVRHWXECJDCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-4-3-5(9(10,11)12)13(2)7(14)6(4)8(15)16/h3H,1-2H3,(H,15,16).
What are the key properties of 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid?
1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 22382023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).