1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid

C8H6F3NO4 — CID 118023929

IUPAC1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOn1c(C(=O)O)ccc(C(F)(F)F)c1=O
InChIInChI=1S/C8H6F3NO4/c1-16-12-5(7(14)15)3-2-4(6(12)13)8(9,10)11/h2-3H,1H3,(H,14,15)
InChIKeyAEVGJURZOPBZMM-UHFFFAOYSA-N
MW237.13 g/mol
LogP0.62
Rot. Bonds2

About 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid

1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118023929) has the molecular formula C8H6F3NO4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID118023929
Molecular FormulaC8H6F3NO4
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC Name1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOn1c(C(=O)O)ccc(C(F)(F)F)c1=O
InChIInChI=1S/C8H6F3NO4/c1-16-12-5(7(14)15)3-2-4(6(12)13)8(9,10)11/h2-3H,1H3,(H,14,15)
InChIKeyAEVGJURZOPBZMM-UHFFFAOYSA-N
XLogP0.62
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 118023929) is 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid is COn1c(C(=O)O)ccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is AEVGJURZOPBZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO4/c1-16-12-5(7(14)15)3-2-4(6(12)13)8(9,10)11/h2-3H,1H3,(H,14,15).
What are the key properties of 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid?
1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 237.13 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118023929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).