5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid

C12H11FN2O3S — CID 106435593

IUPAC5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCC(O)c1ccsc1
InChIInChI=1S/C12H11FN2O3S/c13-8-3-9(12(17)18)11(14-4-8)15-5-10(16)7-1-2-19-6-7/h1-4,6,10,16H,5H2,(H,14,15)(H,17,18)
InChIKeyFYOJNOZZOXTEPS-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.13
Rot. Bonds5

About 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid

5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid (PubChem CID 106435593) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
PubChem CID106435593
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCC(O)c1ccsc1
InChIInChI=1S/C12H11FN2O3S/c13-8-3-9(12(17)18)11(14-4-8)15-5-10(16)7-1-2-19-6-7/h1-4,6,10,16H,5H2,(H,14,15)(H,17,18)
InChIKeyFYOJNOZZOXTEPS-UHFFFAOYSA-N
XLogP2.13
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 106435570
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434570
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
5-fluoro-2-(1,2-oxazol-5-ylmethylamino)pyridine-3-carboxylic acid
CID 106419255
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
CID 114188591
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436527

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid (CID 106435593) is 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1NCC(O)c1ccsc1.
What is the InChIKey of 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is FYOJNOZZOXTEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c13-8-3-9(12(17)18)11(14-4-8)15-5-10(16)7-1-2-19-6-7/h1-4,6,10,16H,5H2,(H,14,15)(H,17,18).
What are the key properties of 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid?
5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106435593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).