4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid

C22H15N3O2 — CID 102289736

IUPAC4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1
InChIInChI=1S/C22H15N3O2/c26-22(27)18-3-1-15(2-4-18)19-13-20(16-5-9-23-10-6-16)25-21(14-19)17-7-11-24-12-8-17/h1-14H,(H,26,27)
InChIKeyWLMLPFKCGMQBFL-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.57
Rot. Bonds4

About 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid

4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid (PubChem CID 102289736) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid
PubChem CID102289736
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1
InChIInChI=1S/C22H15N3O2/c26-22(27)18-3-1-15(2-4-18)19-13-20(16-5-9-23-10-6-16)25-21(14-19)17-7-11-24-12-8-17/h1-14H,(H,26,27)
InChIKeyWLMLPFKCGMQBFL-UHFFFAOYSA-N
XLogP4.57
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic 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 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid?
The IUPAC name of 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid (CID 102289736) is 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid?
The canonical SMILES for 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid is O=C(O)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1.
What is the InChIKey of 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid?
The InChIKey is WLMLPFKCGMQBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c26-22(27)18-3-1-15(2-4-18)19-13-20(16-5-9-23-10-6-16)25-21(14-19)17-7-11-24-12-8-17/h1-14H,(H,26,27).
What are the key properties of 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid?
4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid has a molecular weight of 353.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dipyridin-4-yl-4-pyridinyl)benzoic acid is sourced from PubChem (CID 102289736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).