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

C13H13FN2O2S — CID 105382060

IUPAC3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(Cc1ccsc1)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C13H13FN2O2S/c1-8(6-9-3-5-19-7-9)16-12-11(14)10(13(17)18)2-4-15-12/h2-5,7-8H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyUVQQRVFKMAHFES-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.02
Rot. Bonds5

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

3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 105382060) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID105382060
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(Cc1ccsc1)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C13H13FN2O2S/c1-8(6-9-3-5-19-7-9)16-12-11(14)10(13(17)18)2-4-15-12/h2-5,7-8H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyUVQQRVFKMAHFES-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid (CID 105382060) is 3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid is CC(Cc1ccsc1)Nc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is UVQQRVFKMAHFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-8(6-9-3-5-19-7-9)16-12-11(14)10(13(17)18)2-4-15-12/h2-5,7-8H,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 3.02, 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-3-ylpropan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 105382060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).