2-pyridin-2-ylpyridine-4-carbaldehyde

C11H8N2O — CID 10171298

IUPAC2-pyridin-2-ylpyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2ccccn2)c1
InChIInChI=1S/C11H8N2O/c14-8-9-4-6-13-11(7-9)10-3-1-2-5-12-10/h1-8H
InChIKeyYSZFRHYUHKSZTO-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.96
Rot. Bonds2

About 2-pyridin-2-ylpyridine-4-carbaldehyde

2-pyridin-2-ylpyridine-4-carbaldehyde (PubChem CID 10171298) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-pyridin-2-ylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-2-ylpyridine-4-carbaldehyde
PubChem CID10171298
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-pyridin-2-ylpyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2ccccn2)c1
InChIInChI=1S/C11H8N2O/c14-8-9-4-6-13-11(7-9)10-3-1-2-5-12-10/h1-8H
InChIKeyYSZFRHYUHKSZTO-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 2-pyridin-2-ylpyridine-4-carbaldehyde?
The IUPAC name of 2-pyridin-2-ylpyridine-4-carbaldehyde (CID 10171298) is 2-pyridin-2-ylpyridine-4-carbaldehyde.
What is the SMILES notation for 2-pyridin-2-ylpyridine-4-carbaldehyde?
The canonical SMILES for 2-pyridin-2-ylpyridine-4-carbaldehyde is O=Cc1ccnc(-c2ccccn2)c1.
What is the InChIKey of 2-pyridin-2-ylpyridine-4-carbaldehyde?
The InChIKey is YSZFRHYUHKSZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-8-9-4-6-13-11(7-9)10-3-1-2-5-12-10/h1-8H.
What are the key properties of 2-pyridin-2-ylpyridine-4-carbaldehyde?
2-pyridin-2-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 2-pyridin-2-ylpyridine-4-carbaldehyde is sourced from PubChem (CID 10171298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).