2,5-dipyridin-4-ylpyridine-4-carbaldehyde

C16H11N3O — CID 131870499

IUPAC2,5-dipyridin-4-ylpyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccncc2)ncc1-c1ccncc1
InChIInChI=1S/C16H11N3O/c20-11-14-9-16(13-3-7-18-8-4-13)19-10-15(14)12-1-5-17-6-2-12/h1-11H
InChIKeyQCPUUFFXHSAARN-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.02
Rot. Bonds3

About 2,5-dipyridin-4-ylpyridine-4-carbaldehyde

2,5-dipyridin-4-ylpyridine-4-carbaldehyde (PubChem CID 131870499) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2,5-dipyridin-4-ylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name2,5-dipyridin-4-ylpyridine-4-carbaldehyde
PubChem CID131870499
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2,5-dipyridin-4-ylpyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccncc2)ncc1-c1ccncc1
InChIInChI=1S/C16H11N3O/c20-11-14-9-16(13-3-7-18-8-4-13)19-10-15(14)12-1-5-17-6-2-12/h1-11H
InChIKeyQCPUUFFXHSAARN-UHFFFAOYSA-N
XLogP3.02
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dipyridin-4-ylpyridine-4-carbaldehyde?
The IUPAC name of 2,5-dipyridin-4-ylpyridine-4-carbaldehyde (CID 131870499) is 2,5-dipyridin-4-ylpyridine-4-carbaldehyde.
What is the SMILES notation for 2,5-dipyridin-4-ylpyridine-4-carbaldehyde?
The canonical SMILES for 2,5-dipyridin-4-ylpyridine-4-carbaldehyde is O=Cc1cc(-c2ccncc2)ncc1-c1ccncc1.
What is the InChIKey of 2,5-dipyridin-4-ylpyridine-4-carbaldehyde?
The InChIKey is QCPUUFFXHSAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-11-14-9-16(13-3-7-18-8-4-13)19-10-15(14)12-1-5-17-6-2-12/h1-11H.
What are the key properties of 2,5-dipyridin-4-ylpyridine-4-carbaldehyde?
2,5-dipyridin-4-ylpyridine-4-carbaldehyde has a molecular weight of 261.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipyridin-4-ylpyridine-4-carbaldehyde is sourced from PubChem (CID 131870499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).