2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid

C23H17N3O3 — CID 139239393

IUPAC2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C23H17N3O3/c27-23(28)15-29-18-9-7-16(8-10-18)17-13-21(19-5-1-3-11-24-19)26-22(14-17)20-6-2-4-12-25-20/h1-14H,15H2,(H,27,28)
InChIKeyPZWNRGHUFWMBTP-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid (PubChem CID 139239393) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid
PubChem CID139239393
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C23H17N3O3/c27-23(28)15-29-18-9-7-16(8-10-18)17-13-21(19-5-1-3-11-24-19)26-22(14-17)20-6-2-4-12-25-20/h1-14H,15H2,(H,27,28)
InChIKeyPZWNRGHUFWMBTP-UHFFFAOYSA-N
XLogP4.34
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid (CID 139239393) is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid is O=C(O)COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid?
The InChIKey is PZWNRGHUFWMBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-23(28)15-29-18-9-7-16(8-10-18)17-13-21(19-5-1-3-11-24-19)26-22(14-17)20-6-2-4-12-25-20/h1-14H,15H2,(H,27,28).
What are the key properties of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid?
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid has a molecular weight of 383.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]acetic acid is sourced from PubChem (CID 139239393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).