5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid

C14H14N2O4 — CID 114408919

IUPAC5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid
SMILESCCOc1cccc(Oc2nc(C(=O)O)ccc2N)c1
InChIInChI=1S/C14H14N2O4/c1-2-19-9-4-3-5-10(8-9)20-13-11(15)6-7-12(16-13)14(17)18/h3-8H,2,15H2,1H3,(H,17,18)
InChIKeyAUHLDOAECBTGCO-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.55
Rot. Bonds5

About 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid

5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid (PubChem CID 114408919) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid
PubChem CID114408919
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid
SMILESCCOc1cccc(Oc2nc(C(=O)O)ccc2N)c1
InChIInChI=1S/C14H14N2O4/c1-2-19-9-4-3-5-10(8-9)20-13-11(15)6-7-12(16-13)14(17)18/h3-8H,2,15H2,1H3,(H,17,18)
InChIKeyAUHLDOAECBTGCO-UHFFFAOYSA-N
XLogP2.55
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[3-(dimethylamino)phenoxy]pyridine-2-carboxylic acid
CID 114408858
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
5-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 114409020
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 114408523
5-amino-6-butoxypyridine-2-carboxylic acid
CID 114408773
5-amino-6-quinolin-8-yloxypyridine-2-carboxylic acid
CID 114408715
5-amino-6-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxylic acid
CID 107709763
2-amino-3-(3-ethoxyphenoxy)benzoic acid
CID 115547246
3-(3-ethoxyphenoxy)pyrazin-2-amine
CID 102988136
3-(3-ethoxyphenoxy)quinoxalin-2-amine
CID 102988134
5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid (CID 114408919) is 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid is CCOc1cccc(Oc2nc(C(=O)O)ccc2N)c1.
What is the InChIKey of 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid?
The InChIKey is AUHLDOAECBTGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-19-9-4-3-5-10(8-9)20-13-11(15)6-7-12(16-13)14(17)18/h3-8H,2,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid?
5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 114408919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).