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

C14H21FN2O2 — CID 106019558

IUPAC3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
SMILESCCCCC(CCC)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C14H21FN2O2/c1-3-5-7-10(6-4-2)17-13-12(15)11(14(18)19)8-9-16-13/h8-10H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCAYNNEDIDYLTHC-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.69
Rot. Bonds8

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

3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid (PubChem CID 106019558) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
PubChem CID106019558
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
SMILESCCCCC(CCC)Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C14H21FN2O2/c1-3-5-7-10(6-4-2)17-13-12(15)11(14(18)19)8-9-16-13/h8-10H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCAYNNEDIDYLTHC-UHFFFAOYSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-octan-4-ylpyridin-2-amine
CID 106026370
2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382664
2-(1-ethoxypropan-2-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382171
3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
3-fluoro-N-hexan-3-yl-2-(propylamino)pyridine-4-carboxamide
CID 105385116
2-(1-cyclohexylpropylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382250
3-methyl-N-octan-4-ylpyrazin-2-amine
CID 106026404
2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid
CID 105379977
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106161995
3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105386525

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid (CID 106019558) is 3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid is CCCCC(CCC)Nc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid?
The InChIKey is CAYNNEDIDYLTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-5-7-10(6-4-2)17-13-12(15)11(14(18)19)8-9-16-13/h8-10H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid has a molecular weight of 268.33 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 106019558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).