6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid

C17H19NO3 — CID 107665754

IUPAC6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
SMILESCCC(C)c1ccc(Oc2ncc(C(=O)O)cc2C)cc1
InChIInChI=1S/C17H19NO3/c1-4-11(2)13-5-7-15(8-6-13)21-16-12(3)9-14(10-18-16)17(19)20/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyPJVKRQLMJRFKGV-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.39
Rot. Bonds5

About 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid

6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid (PubChem CID 107665754) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
PubChem CID107665754
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
SMILESCCC(C)c1ccc(Oc2ncc(C(=O)O)cc2C)cc1
InChIInChI=1S/C17H19NO3/c1-4-11(2)13-5-7-15(8-6-13)21-16-12(3)9-14(10-18-16)17(19)20/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyPJVKRQLMJRFKGV-UHFFFAOYSA-N
XLogP4.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
5-(bromomethyl)-2-(4-butan-2-ylphenoxy)-3-methylpyridine
CID 107666158
6-(3-ethoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631046
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
(5-methyl-6-phenoxy-3-pyridinyl)-phenylmethanone
CID 102544607
5-methyl-6-propoxypyridine-3-carboxylic acid
CID 138702867
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 104629426
6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
CID 80632781

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid (CID 107665754) is 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid is CCC(C)c1ccc(Oc2ncc(C(=O)O)cc2C)cc1.
What is the InChIKey of 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid?
The InChIKey is PJVKRQLMJRFKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-11(2)13-5-7-15(8-6-13)21-16-12(3)9-14(10-18-16)17(19)20/h5-11H,4H2,1-3H3,(H,19,20).
What are the key properties of 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid?
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 107665754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).