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

C10H8F3NO5 — CID 154357622

IUPAC1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOC(=O)Cn1c(C(=O)O)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C10H8F3NO5/c1-19-8(16)4-14-6(9(17)18)2-5(3-7(14)15)10(11,12)13/h2-3H,4H2,1H3,(H,17,18)
InChIKeyRHZZUBDSTUJHJP-UHFFFAOYSA-N
MW279.17 g/mol
LogP0.74
Rot. Bonds3

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

1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 154357622) has the molecular formula C10H8F3NO5 and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID154357622
Molecular FormulaC10H8F3NO5
Molecular Weight279.17 g/mol
Exact Mass279.04
IUPAC Name1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOC(=O)Cn1c(C(=O)O)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C10H8F3NO5/c1-19-8(16)4-14-6(9(17)18)2-5(3-7(14)15)10(11,12)13/h2-3H,4H2,1H3,(H,17,18)
InChIKeyRHZZUBDSTUJHJP-UHFFFAOYSA-N
XLogP0.74
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 154357622) is 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid is COC(=O)Cn1c(C(=O)O)cc(C(F)(F)F)cc1=O.
What is the InChIKey of 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is RHZZUBDSTUJHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO5/c1-19-8(16)4-14-6(9(17)18)2-5(3-7(14)15)10(11,12)13/h2-3H,4H2,1H3,(H,17,18).
What are the key properties of 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid?
1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 279.17 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-oxoethyl)-6-oxo-4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 154357622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).