3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid

C11H15FN2O3S — CID 106161995

IUPAC3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCSC(CO)C(C)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H15FN2O3S/c1-6(8(5-15)18-2)14-10-9(12)7(11(16)17)3-4-13-10/h3-4,6,8,15H,5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyFWIAJVONMOSEOB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.44
Rot. Bonds6

About 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid

3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 106161995) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID106161995
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCSC(CO)C(C)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H15FN2O3S/c1-6(8(5-15)18-2)14-10-9(12)7(11(16)17)3-4-13-10/h3-4,6,8,15H,5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyFWIAJVONMOSEOB-UHFFFAOYSA-N
XLogP1.44
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]benzoic acid
CID 106162159
3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106162775
3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382410
3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382664
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106162770
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382171
6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpyridine-3-carboxylic acid
CID 106161963
3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylbenzoic acid
CID 114152085
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid
CID 105382273

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid (CID 106161995) is 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid is CSC(CO)C(C)Nc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is FWIAJVONMOSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-6(8(5-15)18-2)14-10-9(12)7(11(16)17)3-4-13-10/h3-4,6,8,15H,5H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid?
3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106161995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).