5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid

C10H10F3NO4 — CID 114201555

IUPAC5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid
SMILESCOc1cn(CCC(F)(F)F)c(C(=O)O)cc1=O
InChIInChI=1S/C10H10F3NO4/c1-18-8-5-14(3-2-10(11,12)13)6(9(16)17)4-7(8)15/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyJLEDZDRRISVNBC-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.51
Rot. Bonds4

About 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid

5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid (PubChem CID 114201555) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid
PubChem CID114201555
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid
SMILESCOc1cn(CCC(F)(F)F)c(C(=O)O)cc1=O
InChIInChI=1S/C10H10F3NO4/c1-18-8-5-14(3-2-10(11,12)13)6(9(16)17)4-7(8)15/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyJLEDZDRRISVNBC-UHFFFAOYSA-N
XLogP1.51
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)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

Related Compounds

5-hydroxy-1-methyl-2-(2,2,2-trifluoro-1,1-dihydroxyethyl)pyridin-4(1H)-one
CID 49869889
1-(2,2-Difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid
CID 70935190
5-Butoxy-1-methyl-2-(2,2,2-trifluoro-1,1-dihydroxyethyl)pyridin-4-one
CID 70935191
5-Methoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 40572869
2-(5-Methoxy-2-methyl-4-oxo-1,4-dihydropyridin-1-YL)acetic acid
CID 86058350
5-Methoxy-4-oxo-1-(4,4,4-trifluorobutan-2-yl)pyridine-2-carboxylic acid
CID 114201647
5-Methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid
CID 114201652
(3-methoxy-2-methyl-4-oxopyridin-1(4H)-yl)acetic acid
CID 22766109
5-Butoxy-1-methyl-4-oxopyridine-2-carboxylic acid
CID 67963664
1-(2-Azidopropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 141527167
[2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl]acetic acid
CID 56723801
3-Methoxy-1-methyl-4-oxopyridine-2-carboxylic acid
CID 84658866

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid (CID 114201555) is 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid is COc1cn(CCC(F)(F)F)c(C(=O)O)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid?
The InChIKey is JLEDZDRRISVNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-18-8-5-14(3-2-10(11,12)13)6(9(16)17)4-7(8)15/h4-5H,2-3H2,1H3,(H,16,17).
What are the key properties of 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid?
5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid has a molecular weight of 265.19 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114201555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).