5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid

C14H22N2O3 — CID 114408651

IUPAC5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid
SMILESCCCCC(CC)COc1nc(C(=O)O)ccc1N
InChIInChI=1S/C14H22N2O3/c1-3-5-6-10(4-2)9-19-13-11(15)7-8-12(16-13)14(17)18/h7-8,10H,3-6,9,15H2,1-2H3,(H,17,18)
InChIKeyNIRAXFLWJRETQG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.96
Rot. Bonds8

About 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid

5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid (PubChem CID 114408651) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid
PubChem CID114408651
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid
SMILESCCCCC(CC)COc1nc(C(=O)O)ccc1N
InChIInChI=1S/C14H22N2O3/c1-3-5-6-10(4-2)9-19-13-11(15)7-8-12(16-13)14(17)18/h7-8,10H,3-6,9,15H2,1-2H3,(H,17,18)
InChIKeyNIRAXFLWJRETQG-UHFFFAOYSA-N
XLogP2.96
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-butoxypyridine-2-carboxylic acid
CID 114408773
6-(2-ethylhexoxy)-2-propoxypyridin-3-amine
CID 43262515
2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
CID 63514366
2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid
CID 105379977
5-amino-2-(2-ethylhexoxy)benzoic acid
CID 54888104
4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid
CID 63884393
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064
6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
CID 80861981
5-amino-6-(3-methoxy-3-methylbutoxy)pyridine-2-carboxylic acid
CID 106666355
2-ethylhexyl pyridine-2-carboxylate
CID 46198409

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid (CID 114408651) is 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid is CCCCC(CC)COc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid?
The InChIKey is NIRAXFLWJRETQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-5-6-10(4-2)9-19-13-11(15)7-8-12(16-13)14(17)18/h7-8,10H,3-6,9,15H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid?
5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 114408651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).