3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid

C16H17NO3 — CID 104629426

IUPAC3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
SMILESCCC(C)c1ccc(Oc2cnccc2C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-3-11(2)12-4-6-13(7-5-12)20-15-10-17-9-8-14(15)16(18)19/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyCNQGKUSBIIYTKL-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.09
Rot. Bonds5

About 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid

3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid (PubChem CID 104629426) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
PubChem CID104629426
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
SMILESCCC(C)c1ccc(Oc2cnccc2C(=O)O)cc1
InChIInChI=1S/C16H17NO3/c1-3-11(2)12-4-6-13(7-5-12)20-15-10-17-9-8-14(15)16(18)19/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyCNQGKUSBIIYTKL-UHFFFAOYSA-N
XLogP4.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-butan-2-ylphenoxy)pyridine-4-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

3-(4-butan-2-ylphenoxy)pyridine-4-carbothioamide
CID 107664883
3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
CID 81443465
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
6-(4-butan-2-ylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 107665754
3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid
CID 81446130
2-(4-butan-2-ylphenoxy)-6-chlorobenzoic acid
CID 107665757
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid
CID 81436631
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid (CID 104629426) is 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid is CCC(C)c1ccc(Oc2cnccc2C(=O)O)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is CNQGKUSBIIYTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-11(2)12-4-6-13(7-5-12)20-15-10-17-9-8-14(15)16(18)19/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid?
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 104629426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).