6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid

C15H15NO3 — CID 82120696

IUPAC6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
SMILESCCOc1ccc(-c2ncc(C(=O)O)cc2C)cc1
InChIInChI=1S/C15H15NO3/c1-3-19-13-6-4-11(5-7-13)14-10(2)8-12(9-16-14)15(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyYHSBFIQLVLNEDT-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.15
Rot. Bonds4

About 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid

6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid (PubChem CID 82120696) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
PubChem CID82120696
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
SMILESCCOc1ccc(-c2ncc(C(=O)O)cc2C)cc1
InChIInChI=1S/C15H15NO3/c1-3-19-13-6-4-11(5-7-13)14-10(2)8-12(9-16-14)15(17)18/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyYHSBFIQLVLNEDT-UHFFFAOYSA-N
XLogP3.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 82119054
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
CID 53223705
4-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358
2-(4-butoxyphenyl)pyrimidine-5-carboxylic acid
CID 14765882
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861
6-(4-ethoxyphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82124021
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid (CID 82120696) is 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid is CCOc1ccc(-c2ncc(C(=O)O)cc2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid?
The InChIKey is YHSBFIQLVLNEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-19-13-6-4-11(5-7-13)14-10(2)8-12(9-16-14)15(17)18/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid?
6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 82120696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).