3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid

C11H15FN2O2S — CID 105382664

IUPAC3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCSCCC(C)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H15FN2O2S/c1-7(4-6-17-2)14-10-9(12)8(11(15)16)3-5-13-10/h3,5,7H,4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDHYPRFZUXZSFAO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.47
Rot. Bonds6

About 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid

3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 105382664) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID105382664
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCSCCC(C)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C11H15FN2O2S/c1-7(4-6-17-2)14-10-9(12)8(11(15)16)3-5-13-10/h3,5,7H,4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDHYPRFZUXZSFAO-UHFFFAOYSA-N
XLogP2.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382171
3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106161995
3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382410
N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine
CID 113477681
3-fluoro-2-(1-thiophen-3-ylethylamino)pyridine-4-carboxylic acid
CID 105382273
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382250
3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid
CID 105382627

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid (CID 105382664) is 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid is CSCCC(C)Nc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is DHYPRFZUXZSFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-7(4-6-17-2)14-10-9(12)8(11(15)16)3-5-13-10/h3,5,7H,4,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 105382664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).