6-pyridin-2-ylpyridine-3-carbaldehyde

C11H8N2O — CID 10866997

IUPAC6-pyridin-2-ylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C11H8N2O/c14-8-9-4-5-11(13-7-9)10-3-1-2-6-12-10/h1-8H
InChIKeyNYRALBSJJJBAMN-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.96
Rot. Bonds2

About 6-pyridin-2-ylpyridine-3-carbaldehyde

6-pyridin-2-ylpyridine-3-carbaldehyde (PubChem CID 10866997) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 6-pyridin-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-pyridin-2-ylpyridine-3-carbaldehyde
PubChem CID10866997
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name6-pyridin-2-ylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C11H8N2O/c14-8-9-4-5-11(13-7-9)10-3-1-2-6-12-10/h1-8H
InChIKeyNYRALBSJJJBAMN-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 6-pyridin-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 6-pyridin-2-ylpyridine-3-carbaldehyde (CID 10866997) is 6-pyridin-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-pyridin-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 6-pyridin-2-ylpyridine-3-carbaldehyde is O=Cc1ccc(-c2ccccn2)nc1.
What is the InChIKey of 6-pyridin-2-ylpyridine-3-carbaldehyde?
The InChIKey is NYRALBSJJJBAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-8-9-4-5-11(13-7-9)10-3-1-2-6-12-10/h1-8H.
What are the key properties of 6-pyridin-2-ylpyridine-3-carbaldehyde?
6-pyridin-2-ylpyridine-3-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 6-pyridin-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 10866997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).