3-pyridin-4-ylpyridine-4-carbaldehyde

C11H8N2O — CID 46316056

IUPAC3-pyridin-4-ylpyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1ccncc1
InChIInChI=1S/C11H8N2O/c14-8-10-3-6-13-7-11(10)9-1-4-12-5-2-9/h1-8H
InChIKeyUGGDWVQOUOSJID-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.96
Rot. Bonds2

About 3-pyridin-4-ylpyridine-4-carbaldehyde

3-pyridin-4-ylpyridine-4-carbaldehyde (PubChem CID 46316056) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-pyridin-4-ylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-pyridin-4-ylpyridine-4-carbaldehyde
PubChem CID46316056
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3-pyridin-4-ylpyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1ccncc1
InChIInChI=1S/C11H8N2O/c14-8-10-3-6-13-7-11(10)9-1-4-12-5-2-9/h1-8H
InChIKeyUGGDWVQOUOSJID-UHFFFAOYSA-N
XLogP1.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpyridine-4-carbaldehyde?
The IUPAC name of 3-pyridin-4-ylpyridine-4-carbaldehyde (CID 46316056) is 3-pyridin-4-ylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-pyridin-4-ylpyridine-4-carbaldehyde?
The canonical SMILES for 3-pyridin-4-ylpyridine-4-carbaldehyde is O=Cc1ccncc1-c1ccncc1.
What is the InChIKey of 3-pyridin-4-ylpyridine-4-carbaldehyde?
The InChIKey is UGGDWVQOUOSJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-8-10-3-6-13-7-11(10)9-1-4-12-5-2-9/h1-8H.
What are the key properties of 3-pyridin-4-ylpyridine-4-carbaldehyde?
3-pyridin-4-ylpyridine-4-carbaldehyde has a molecular weight of 184.20 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpyridine-4-carbaldehyde is sourced from PubChem (CID 46316056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).