3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid

C14H19FN2O3 — CID 102744178

IUPAC3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid
SMILESCC1(C)CN(c2nccc(C(=O)O)c2F)CC(C)(C)O1
InChIInChI=1S/C14H19FN2O3/c1-13(2)7-17(8-14(3,4)20-13)11-10(15)9(12(18)19)5-6-16-11/h5-6H,7-8H2,1-4H3,(H,18,19)
InChIKeyYGSOSRJBUTYFGB-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.31
Rot. Bonds2

About 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid

3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid (PubChem CID 102744178) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid
PubChem CID102744178
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid
SMILESCC1(C)CN(c2nccc(C(=O)O)c2F)CC(C)(C)O1
InChIInChI=1S/C14H19FN2O3/c1-13(2)7-17(8-14(3,4)20-13)11-10(15)9(12(18)19)5-6-16-11/h5-6H,7-8H2,1-4H3,(H,18,19)
InChIKeyYGSOSRJBUTYFGB-UHFFFAOYSA-N
XLogP2.31
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-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 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid (CID 102744178) is 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid is CC1(C)CN(c2nccc(C(=O)O)c2F)CC(C)(C)O1.
What is the InChIKey of 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid?
The InChIKey is YGSOSRJBUTYFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-13(2)7-17(8-14(3,4)20-13)11-10(15)9(12(18)19)5-6-16-11/h5-6H,7-8H2,1-4H3,(H,18,19).
What are the key properties of 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid?
3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid has a molecular weight of 282.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 102744178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).