6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid

C15H15NO4 — CID 80631046

IUPAC6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
SMILESCCOc1cccc(Oc2ncc(C(=O)O)cc2C)c1
InChIInChI=1S/C15H15NO4/c1-3-19-12-5-4-6-13(8-12)20-14-10(2)7-11(9-16-14)15(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyVYQVMLQNWRGUEL-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.28
Rot. Bonds5

About 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid

6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid (PubChem CID 80631046) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
PubChem CID80631046
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
SMILESCCOc1cccc(Oc2ncc(C(=O)O)cc2C)c1
InChIInChI=1S/C15H15NO4/c1-3-19-12-5-4-6-13(8-12)20-14-10(2)7-11(9-16-14)15(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyVYQVMLQNWRGUEL-UHFFFAOYSA-N
XLogP3.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
CID 80632781
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
(5-methyl-6-phenoxy-3-pyridinyl)-phenylmethanone
CID 102544607
6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 82120696
5-methyl-6-propoxypyridine-3-carboxylic acid
CID 138702867
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 114408919
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid (CID 80631046) is 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid is CCOc1cccc(Oc2ncc(C(=O)O)cc2C)c1.
What is the InChIKey of 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid?
The InChIKey is VYQVMLQNWRGUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-19-12-5-4-6-13(8-12)20-14-10(2)7-11(9-16-14)15(17)18/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid?
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80631046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).