5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid

C16H18N2O3 — CID 114408523

IUPAC5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
SMILESCCC(C)c1ccccc1Oc1nc(C(=O)O)ccc1N
InChIInChI=1S/C16H18N2O3/c1-3-10(2)11-6-4-5-7-14(11)21-15-12(17)8-9-13(18-15)16(19)20/h4-10H,3,17H2,1-2H3,(H,19,20)
InChIKeyJWFFERDBXSGYDT-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.67
Rot. Bonds5

About 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid

5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid (PubChem CID 114408523) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
PubChem CID114408523
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
SMILESCCC(C)c1ccccc1Oc1nc(C(=O)O)ccc1N
InChIInChI=1S/C16H18N2O3/c1-3-10(2)11-6-4-5-7-14(11)21-15-12(17)8-9-13(18-15)16(19)20/h4-10H,3,17H2,1-2H3,(H,19,20)
InChIKeyJWFFERDBXSGYDT-UHFFFAOYSA-N
XLogP3.67
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-acetamidophenoxy)-5-aminopyridine-2-carboxylic acid
CID 114408530
5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 114408349
4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 43326012
5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 114408919
2-amino-5-(2-butan-2-ylphenoxy)benzamide
CID 61305596
5-amino-6-quinolin-8-yloxypyridine-2-carboxylic acid
CID 114408715
6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80881297
5-amino-6-butoxypyridine-2-carboxylic acid
CID 114408773
6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
CID 80941065
5-amino-6-(2-carbamoylphenoxy)pyridine-2-carboxamide
CID 114408553
4-(2-butan-2-ylphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80874080
3-bromo-4-(2-butan-2-ylphenoxy)benzoic acid
CID 82789766

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid (CID 114408523) is 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid is CCC(C)c1ccccc1Oc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid?
The InChIKey is JWFFERDBXSGYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-10(2)11-6-4-5-7-14(11)21-15-12(17)8-9-13(18-15)16(19)20/h4-10H,3,17H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid?
5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 114408523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).