3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid

C11H9FN2O2S — CID 105381881

IUPAC3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cccs2)c1F
InChIInChI=1S/C11H9FN2O2S/c12-9-8(11(15)16)3-4-13-10(9)14-6-7-2-1-5-17-7/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeySYULCQWBTUBYGG-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.59
Rot. Bonds4

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

3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 105381881) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID105381881
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cccs2)c1F
InChIInChI=1S/C11H9FN2O2S/c12-9-8(11(15)16)3-4-13-10(9)14-6-7-2-1-5-17-7/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeySYULCQWBTUBYGG-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid (CID 105381881) is 3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCc2cccs2)c1F.
What is the InChIKey of 3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is SYULCQWBTUBYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-9-8(11(15)16)3-4-13-10(9)14-6-7-2-1-5-17-7/h1-5H,6H2,(H,13,14)(H,15,16).
What are the key properties of 3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(thiophen-2-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 105381881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).