6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid

C10H9FN2O4 — CID 142605962

IUPAC6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2(F)CN(C(=O)O)C2)nc1
InChIInChI=1S/C10H9FN2O4/c11-10(4-13(5-10)9(16)17)7-2-1-6(3-12-7)8(14)15/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyRBLDWOGUVRAISS-UHFFFAOYSA-N
MW240.19 g/mol
LogP0.94
Rot. Bonds2

About 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid

6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid (PubChem CID 142605962) has the molecular formula C10H9FN2O4 and a molecular weight of 240.19 g/mol. Its IUPAC name is 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid
PubChem CID142605962
Molecular FormulaC10H9FN2O4
Molecular Weight240.19 g/mol
Exact Mass240.05
IUPAC Name6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2(F)CN(C(=O)O)C2)nc1
InChIInChI=1S/C10H9FN2O4/c11-10(4-13(5-10)9(16)17)7-2-1-6(3-12-7)8(14)15/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyRBLDWOGUVRAISS-UHFFFAOYSA-N
XLogP0.94
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid (CID 142605962) is 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C2(F)CN(C(=O)O)C2)nc1.
What is the InChIKey of 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid?
The InChIKey is RBLDWOGUVRAISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O4/c11-10(4-13(5-10)9(16)17)7-2-1-6(3-12-7)8(14)15/h1-3H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid?
6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid has a molecular weight of 240.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-carboxy-3-fluoroazetidin-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 142605962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).