5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid

C10H9FN2O3 — CID 172793833

IUPAC5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid
SMILESCc1nc(N2CC(=O)C2)c(F)cc1C(=O)O
InChIInChI=1S/C10H9FN2O3/c1-5-7(10(15)16)2-8(11)9(12-5)13-3-6(14)4-13/h2H,3-4H2,1H3,(H,15,16)
InChIKeyPXVCKLJDCSCSAX-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.62
Rot. Bonds2

About 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid

5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 172793833) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid
PubChem CID172793833
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid
SMILESCc1nc(N2CC(=O)C2)c(F)cc1C(=O)O
InChIInChI=1S/C10H9FN2O3/c1-5-7(10(15)16)2-8(11)9(12-5)13-3-6(14)4-13/h2H,3-4H2,1H3,(H,15,16)
InChIKeyPXVCKLJDCSCSAX-UHFFFAOYSA-N
XLogP0.62
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-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 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid (CID 172793833) is 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid is Cc1nc(N2CC(=O)C2)c(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is PXVCKLJDCSCSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-5-7(10(15)16)2-8(11)9(12-5)13-3-6(14)4-13/h2H,3-4H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid?
5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 224.19 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 5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 172793833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).