6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid

C15H15NO3 — CID 80632032

IUPAC6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C)c(Oc2ncc(C(=O)O)cc2C)c1
InChIInChI=1S/C15H15NO3/c1-9-4-5-10(2)13(6-9)19-14-11(3)7-12(8-16-14)15(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyDFIFPFLMPGYSPS-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.50
Rot. Bonds3

About 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid

6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid (PubChem CID 80632032) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
PubChem CID80632032
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C)c(Oc2ncc(C(=O)O)cc2C)c1
InChIInChI=1S/C15H15NO3/c1-9-4-5-10(2)13(6-9)19-14-11(3)7-12(8-16-14)15(17)18/h4-8H,1-3H3,(H,17,18)
InChIKeyDFIFPFLMPGYSPS-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
4-(2,5-dimethylphenoxy)benzoic acid
CID 22684928
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599
6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
CID 80632781
5-methyl-6-propoxypyridine-3-carboxylic acid
CID 138702867
4-methyl-3-(3-methylpyrazin-2-yl)oxybenzoic acid
CID 83063808
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid (CID 80632032) is 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid is Cc1ccc(C)c(Oc2ncc(C(=O)O)cc2C)c1.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid?
The InChIKey is DFIFPFLMPGYSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-4-5-10(2)13(6-9)19-14-11(3)7-12(8-16-14)15(17)18/h4-8H,1-3H3,(H,17,18).
What are the key properties of 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid?
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80632032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).