5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde

C24H15N3O3 — CID 102218697

IUPAC5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccc(C=O)nc3)cc(-c3ccc(C=O)nc3)c2)cn1
InChIInChI=1S/C24H15N3O3/c28-13-22-4-1-16(10-25-22)19-7-20(17-2-5-23(14-29)26-11-17)9-21(8-19)18-3-6-24(15-30)27-12-18/h1-15H
InChIKeyGJAJJEGWMDUKFM-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.31
Rot. Bonds6

About 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde

5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde (PubChem CID 102218697) has the molecular formula C24H15N3O3 and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde
PubChem CID102218697
Molecular FormulaC24H15N3O3
Molecular Weight393.40 g/mol
Exact Mass393.11
IUPAC Name5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccc(C=O)nc3)cc(-c3ccc(C=O)nc3)c2)cn1
InChIInChI=1S/C24H15N3O3/c28-13-22-4-1-16(10-25-22)19-7-20(17-2-5-23(14-29)26-11-17)9-21(8-19)18-3-6-24(15-30)27-12-18/h1-15H
InChIKeyGJAJJEGWMDUKFM-UHFFFAOYSA-N
XLogP4.31
TPSA89.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde (CID 102218697) is 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde is O=Cc1ccc(-c2cc(-c3ccc(C=O)nc3)cc(-c3ccc(C=O)nc3)c2)cn1.
What is the InChIKey of 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde?
The InChIKey is GJAJJEGWMDUKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O3/c28-13-22-4-1-16(10-25-22)19-7-20(17-2-5-23(14-29)26-11-17)9-21(8-19)18-3-6-24(15-30)27-12-18/h1-15H.
What are the key properties of 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde?
5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde has a molecular weight of 393.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 102218697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).