5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde

C18H11N3O3 — CID 87124357

IUPAC5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde
SMILESO=Cc1nc(-c2ccccn2)c(-c2ccccn2)c(C=O)c1C=O
InChIInChI=1S/C18H11N3O3/c22-9-12-13(10-23)17(14-5-1-3-7-19-14)18(21-16(12)11-24)15-6-2-4-8-20-15/h1-11H
InChIKeyFFOMJKDYLJOWIJ-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.64
Rot. Bonds5

About 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde

5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde (PubChem CID 87124357) has the molecular formula C18H11N3O3 and a molecular weight of 317.30 g/mol. Its IUPAC name is 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde.

Molecular Properties

Compound Name5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde
PubChem CID87124357
Molecular FormulaC18H11N3O3
Molecular Weight317.30 g/mol
Exact Mass317.08
IUPAC Name5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde
SMILESO=Cc1nc(-c2ccccn2)c(-c2ccccn2)c(C=O)c1C=O
InChIInChI=1S/C18H11N3O3/c22-9-12-13(10-23)17(14-5-1-3-7-19-14)18(21-16(12)11-24)15-6-2-4-8-20-15/h1-11H
InChIKeyFFOMJKDYLJOWIJ-UHFFFAOYSA-N
XLogP2.64
TPSA89.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde 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 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde?
The IUPAC name of 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde (CID 87124357) is 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde.
What is the SMILES notation for 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde?
The canonical SMILES for 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde is O=Cc1nc(-c2ccccn2)c(-c2ccccn2)c(C=O)c1C=O.
What is the InChIKey of 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde?
The InChIKey is FFOMJKDYLJOWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3/c22-9-12-13(10-23)17(14-5-1-3-7-19-14)18(21-16(12)11-24)15-6-2-4-8-20-15/h1-11H.
What are the key properties of 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde?
5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde has a molecular weight of 317.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde is sourced from PubChem (CID 87124357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).