3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid

C13H13FN2O2S — CID 105382061

IUPAC3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccc(C(C)Nc2nccc(C(=O)O)c2F)s1
InChIInChI=1S/C13H13FN2O2S/c1-7-3-4-10(19-7)8(2)16-12-11(14)9(13(17)18)5-6-15-12/h3-6,8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyBJFOUBPMKGYTLP-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.46
Rot. Bonds4

About 3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid

3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 105382061) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID105382061
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccc(C(C)Nc2nccc(C(=O)O)c2F)s1
InChIInChI=1S/C13H13FN2O2S/c1-7-3-4-10(19-7)8(2)16-12-11(14)9(13(17)18)5-6-15-12/h3-6,8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyBJFOUBPMKGYTLP-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.46
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-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid (CID 105382061) is 3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid is Cc1ccc(C(C)Nc2nccc(C(=O)O)c2F)s1.
What is the InChIKey of 3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is BJFOUBPMKGYTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-7-3-4-10(19-7)8(2)16-12-11(14)9(13(17)18)5-6-15-12/h3-6,8H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid?
3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).