3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid

C13H13FN2O2S — CID 105382081

IUPAC3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid
SMILESCCC(Nc1nccc(C(=O)O)c1F)c1cccs1
InChIInChI=1S/C13H13FN2O2S/c1-2-9(10-4-3-7-19-10)16-12-11(14)8(13(17)18)5-6-15-12/h3-7,9H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyNCQMMSURAQYLCN-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.54
Rot. Bonds5

About 3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid

3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid (PubChem CID 105382081) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid
PubChem CID105382081
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid
SMILESCCC(Nc1nccc(C(=O)O)c1F)c1cccs1
InChIInChI=1S/C13H13FN2O2S/c1-2-9(10-4-3-7-19-10)16-12-11(14)8(13(17)18)5-6-15-12/h3-7,9H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyNCQMMSURAQYLCN-UHFFFAOYSA-N
XLogP3.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-2-(1-thiophen-2-ylpropylamino)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-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid (CID 105382081) is 3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid is CCC(Nc1nccc(C(=O)O)c1F)c1cccs1.
What is the InChIKey of 3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid?
The InChIKey is NCQMMSURAQYLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-2-9(10-4-3-7-19-10)16-12-11(14)8(13(17)18)5-6-15-12/h3-7,9H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-thiophen-2-ylpropylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 105382081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).