2-(4-butanoylphenoxy)pyridine-3-carboxylic acid

C16H15NO4 — CID 166523916

IUPAC2-(4-butanoylphenoxy)pyridine-3-carboxylic acid
SMILESCCCC(=O)c1ccc(Oc2ncccc2C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c1-2-4-14(18)11-6-8-12(9-7-11)21-15-13(16(19)20)5-3-10-17-15/h3,5-10H,2,4H2,1H3,(H,19,20)
InChIKeyXERNARBYMJEPFM-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.55
Rot. Bonds6

About 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid

2-(4-butanoylphenoxy)pyridine-3-carboxylic acid (PubChem CID 166523916) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-butanoylphenoxy)pyridine-3-carboxylic acid
PubChem CID166523916
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(4-butanoylphenoxy)pyridine-3-carboxylic acid
SMILESCCCC(=O)c1ccc(Oc2ncccc2C(=O)O)cc1
InChIInChI=1S/C16H15NO4/c1-2-4-14(18)11-6-8-12(9-7-11)21-15-13(16(19)20)5-3-10-17-15/h3,5-10H,2,4H2,1H3,(H,19,20)
InChIKeyXERNARBYMJEPFM-UHFFFAOYSA-N
XLogP3.55
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
CID 45422631
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
2-(4-oxo-4-phenylbutoxy)pyridine-3-carboxylic acid
CID 143555857
2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid
CID 11681522
2-naphthalen-2-yloxypyridine-3-carboxylic acid
CID 16784651
2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
CID 107672662
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
CID 24704749
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035

Frequently Asked Questions

What is the IUPAC name of 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid (CID 166523916) is 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid is CCCC(=O)c1ccc(Oc2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is XERNARBYMJEPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-4-14(18)11-6-8-12(9-7-11)21-15-13(16(19)20)5-3-10-17-15/h3,5-10H,2,4H2,1H3,(H,19,20).
What are the key properties of 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid?
2-(4-butanoylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butanoylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 166523916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).