1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid

C8H6F3NO3 — CID 105476933

IUPAC1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCn1c(C(F)(F)F)cc(C(=O)O)cc1=O
InChIInChI=1S/C8H6F3NO3/c1-12-5(8(9,10)11)2-4(7(14)15)3-6(12)13/h2-3H,1H3,(H,14,15)
InChIKeyUTJPFNIBUWWOCV-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.10
Rot. Bonds1

About 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid

1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 105476933) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID105476933
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCn1c(C(F)(F)F)cc(C(=O)O)cc1=O
InChIInChI=1S/C8H6F3NO3/c1-12-5(8(9,10)11)2-4(7(14)15)3-6(12)13/h2-3H,1H3,(H,14,15)
InChIKeyUTJPFNIBUWWOCV-UHFFFAOYSA-N
XLogP1.10
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid (CID 105476933) is 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid is Cn1c(C(F)(F)F)cc(C(=O)O)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is UTJPFNIBUWWOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-12-5(8(9,10)11)2-4(7(14)15)3-6(12)13/h2-3H,1H3,(H,14,15).
What are the key properties of 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid?
1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 221.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 105476933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).