3-(4-acetylphenoxy)pyridine-4-carboxylic acid

C14H11NO4 — CID 81443544

IUPAC3-(4-acetylphenoxy)pyridine-4-carboxylic acid
SMILESCC(=O)c1ccc(Oc2cnccc2C(=O)O)cc1
InChIInChI=1S/C14H11NO4/c1-9(16)10-2-4-11(5-3-10)19-13-8-15-7-6-12(13)14(17)18/h2-8H,1H3,(H,17,18)
InChIKeyJVSGNVYVMKQVKL-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.77
Rot. Bonds4

About 3-(4-acetylphenoxy)pyridine-4-carboxylic acid

3-(4-acetylphenoxy)pyridine-4-carboxylic acid (PubChem CID 81443544) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(4-acetylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-acetylphenoxy)pyridine-4-carboxylic acid
PubChem CID81443544
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name3-(4-acetylphenoxy)pyridine-4-carboxylic acid
SMILESCC(=O)c1ccc(Oc2cnccc2C(=O)O)cc1
InChIInChI=1S/C14H11NO4/c1-9(16)10-2-4-11(5-3-10)19-13-8-15-7-6-12(13)14(17)18/h2-8H,1H3,(H,17,18)
InChIKeyJVSGNVYVMKQVKL-UHFFFAOYSA-N
XLogP2.77
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
CID 81443465
3-(4-butan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 104629426
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
4-(4-acetylphenoxy)benzoic acid
CID 60723234
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid
CID 103566591
3-acetylpyridine-4-carboxylic acid
CID 19902844
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
3-(6-methylpyridazin-3-yl)oxypyridine-4-carboxylic acid
CID 81443389
4-(4-methylsulfanylphenoxy)pyridine-3-carboxylic acid
CID 81226086

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-acetylphenoxy)pyridine-4-carboxylic acid (CID 81443544) is 3-(4-acetylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-acetylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-acetylphenoxy)pyridine-4-carboxylic acid is CC(=O)c1ccc(Oc2cnccc2C(=O)O)cc1.
What is the InChIKey of 3-(4-acetylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is JVSGNVYVMKQVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-9(16)10-2-4-11(5-3-10)19-13-8-15-7-6-12(13)14(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 3-(4-acetylphenoxy)pyridine-4-carboxylic acid?
3-(4-acetylphenoxy)pyridine-4-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 81443544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).