3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid

C14H13NO4 — CID 117241514

IUPAC3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid
SMILESO=C(O)C(COc1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C14H13NO4/c16-10-4-6-11(7-5-10)19-9-12(14(17)18)13-3-1-2-8-15-13/h1-8,12,16H,9H2,(H,17,18)
InChIKeyIBXQMFICRWHHML-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.03
Rot. Bonds5

About 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid

3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid (PubChem CID 117241514) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid
PubChem CID117241514
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid
SMILESO=C(O)C(COc1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C14H13NO4/c16-10-4-6-11(7-5-10)19-9-12(14(17)18)13-3-1-2-8-15-13/h1-8,12,16H,9H2,(H,17,18)
InChIKeyIBXQMFICRWHHML-UHFFFAOYSA-N
XLogP2.03
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241497
2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid
CID 155797235
2-pyridin-2-ylbutanedioic acid
CID 67462885
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
4-hydroxy-2-pyridin-2-ylpentanoic acid
CID 24976010
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
3-[4-[2-carboxy-2-(3,5-dihydroxyphenyl)ethoxy]phenoxy]-2-(3,5-dihydroxyphenyl)propanoic acid
CID 67652008
3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244430
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 126650060
[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] trifluoromethanesulfonate
CID 89286436
2-[(4-hydroxyphenoxy)methyl]-3,3-dimethylbutanoic acid
CID 117242558

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid (CID 117241514) is 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid is O=C(O)C(COc1ccc(O)cc1)c1ccccn1.
What is the InChIKey of 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid?
The InChIKey is IBXQMFICRWHHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-10-4-6-11(7-5-10)19-9-12(14(17)18)13-3-1-2-8-15-13/h1-8,12,16H,9H2,(H,17,18).
What are the key properties of 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid?
3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid has a molecular weight of 259.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenoxy)-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 117241514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).