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

C16H17NO3 — CID 43326012

IUPAC4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
SMILESCCC(C)c1ccccc1Oc1ccnc(C(=O)O)c1
InChIInChI=1S/C16H17NO3/c1-3-11(2)13-6-4-5-7-15(13)20-12-8-9-17-14(10-12)16(18)19/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyWORWMCCYQBYARI-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.09
Rot. Bonds5

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

4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid (PubChem CID 43326012) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
PubChem CID43326012
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
SMILESCCC(C)c1ccccc1Oc1ccnc(C(=O)O)c1
InChIInChI=1S/C16H17NO3/c1-3-11(2)13-6-4-5-7-15(13)20-12-8-9-17-14(10-12)16(18)19/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyWORWMCCYQBYARI-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 4-(2-butan-2-ylphenoxy)pyridine-2-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

4-(2-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 43142917
4-butan-2-yloxypyridine-2-carboxylic acid
CID 60903768
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934
5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 114408523
2-amino-5-(2-butan-2-ylphenoxy)benzamide
CID 61305596
3-bromo-4-(2-butan-2-ylphenoxy)benzoic acid
CID 82789766
4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 43325985
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119583757
[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383274
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
CID 115505423
[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
CID 106530139

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid (CID 43326012) is 4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid is CCC(C)c1ccccc1Oc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid?
The InChIKey is WORWMCCYQBYARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-11(2)13-6-4-5-7-15(13)20-12-8-9-17-14(10-12)16(18)19/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid?
4-(2-butan-2-ylphenoxy)pyridine-2-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 4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 43326012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).