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

C14H15FN2O2S — CID 105382087

IUPAC3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid
SMILESCCCC(Nc1nccc(C(=O)O)c1F)c1cccs1
InChIInChI=1S/C14H15FN2O2S/c1-2-4-10(11-5-3-8-20-11)17-13-12(15)9(14(18)19)6-7-16-13/h3,5-8,10H,2,4H2,1H3,(H,16,17)(H,18,19)
InChIKeyPIFNDCJFBDIFJT-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.93
Rot. Bonds6

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

3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid (PubChem CID 105382087) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid
PubChem CID105382087
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid
SMILESCCCC(Nc1nccc(C(=O)O)c1F)c1cccs1
InChIInChI=1S/C14H15FN2O2S/c1-2-4-10(11-5-3-8-20-11)17-13-12(15)9(14(18)19)6-7-16-13/h3,5-8,10H,2,4H2,1H3,(H,16,17)(H,18,19)
InChIKeyPIFNDCJFBDIFJT-UHFFFAOYSA-N
XLogP3.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid (CID 105382087) is 3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid is CCCC(Nc1nccc(C(=O)O)c1F)c1cccs1.
What is the InChIKey of 3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid?
The InChIKey is PIFNDCJFBDIFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-4-10(11-5-3-8-20-11)17-13-12(15)9(14(18)19)6-7-16-13/h3,5-8,10H,2,4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(1-thiophen-2-ylbutylamino)pyridine-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 3.93, 6 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-ylbutylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 105382087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).