6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde

C24H14N4O4 — CID 87124396

IUPAC6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde
SMILESO=Cc1ccnc(-c2nc(C=O)c(C=O)c(-c3ccccn3)c2-c2ccccn2)c1C=O
InChIInChI=1S/C24H14N4O4/c29-11-15-7-10-27-23(16(15)12-30)24-22(19-6-2-4-9-26-19)21(18-5-1-3-8-25-18)17(13-31)20(14-32)28-24/h1-14H
InChIKeyWDXOQWZTKIALNB-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.52
Rot. Bonds7

About 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde

6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde (PubChem CID 87124396) has the molecular formula C24H14N4O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde.

Molecular Properties

Compound Name6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde
PubChem CID87124396
Molecular FormulaC24H14N4O4
Molecular Weight422.40 g/mol
Exact Mass422.10
IUPAC Name6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde
SMILESO=Cc1ccnc(-c2nc(C=O)c(C=O)c(-c3ccccn3)c2-c2ccccn2)c1C=O
InChIInChI=1S/C24H14N4O4/c29-11-15-7-10-27-23(16(15)12-30)24-22(19-6-2-4-9-26-19)21(18-5-1-3-8-25-18)17(13-31)20(14-32)28-24/h1-14H
InChIKeyWDXOQWZTKIALNB-UHFFFAOYSA-N
XLogP3.52
TPSA119.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde?
The IUPAC name of 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde (CID 87124396) is 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde.
What is the SMILES notation for 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde?
The canonical SMILES for 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde is O=Cc1ccnc(-c2nc(C=O)c(C=O)c(-c3ccccn3)c2-c2ccccn2)c1C=O.
What is the InChIKey of 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde?
The InChIKey is WDXOQWZTKIALNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O4/c29-11-15-7-10-27-23(16(15)12-30)24-22(19-6-2-4-9-26-19)21(18-5-1-3-8-25-18)17(13-31)20(14-32)28-24/h1-14H.
What are the key properties of 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde?
6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde has a molecular weight of 422.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde is sourced from PubChem (CID 87124396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).