2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid

C18H21NO3 — CID 143633973

IUPAC2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid
SMILESCCC(C)c1ccccc1CCOc1cc(C(=O)O)ccn1
InChIInChI=1S/C18H21NO3/c1-3-13(2)16-7-5-4-6-14(16)9-11-22-17-12-15(18(20)21)8-10-19-17/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,20,21)
InChIKeyCFKLVDZTKKRWBX-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.91
Rot. Bonds7

About 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid

2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid (PubChem CID 143633973) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid
PubChem CID143633973
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid
SMILESCCC(C)c1ccccc1CCOc1cc(C(=O)O)ccn1
InChIInChI=1S/C18H21NO3/c1-3-13(2)16-7-5-4-6-14(16)9-11-22-17-12-15(18(20)21)8-10-19-17/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,20,21)
InChIKeyCFKLVDZTKKRWBX-UHFFFAOYSA-N
XLogP3.91
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505427
2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
CID 91151516
2-phenoxypyridine-4-carboxylic acid
CID 21494431
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
1-butan-2-yl-2-(2-phenylethyl)benzene
CID 22235126
4-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 43326012
2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid
CID 28996595
2-nonoxypyridine-4-carboxamide
CID 24860246
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
3-acetyloxy-4-butan-2-ylbenzoic acid
CID 167317141
3-bromo-4-(2-butan-2-ylphenoxy)benzoic acid
CID 82789766
N-oxo-2-(2-phenylpropoxy)pyridine-4-carboxamide
CID 89174231

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid (CID 143633973) is 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid is CCC(C)c1ccccc1CCOc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid?
The InChIKey is CFKLVDZTKKRWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-13(2)16-7-5-4-6-14(16)9-11-22-17-12-15(18(20)21)8-10-19-17/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid?
2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butan-2-ylphenyl)ethoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 143633973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).