6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde

C12H8N2O2 — CID 4975903

IUPAC6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cccc(C=O)n2)n1
InChIInChI=1S/C12H8N2O2/c15-7-9-3-1-5-11(13-9)12-6-2-4-10(8-16)14-12/h1-8H
InChIKeyNHWCJRHPJLHJPL-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.77
Rot. Bonds3

About 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde

6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde (PubChem CID 4975903) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
PubChem CID4975903
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cccc(C=O)n2)n1
InChIInChI=1S/C12H8N2O2/c15-7-9-3-1-5-11(13-9)12-6-2-4-10(8-16)14-12/h1-8H
InChIKeyNHWCJRHPJLHJPL-UHFFFAOYSA-N
XLogP1.77
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde (CID 4975903) is 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde is O=Cc1cccc(-c2cccc(C=O)n2)n1.
What is the InChIKey of 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde?
The InChIKey is NHWCJRHPJLHJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-7-9-3-1-5-11(13-9)12-6-2-4-10(8-16)14-12/h1-8H.
What are the key properties of 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde?
6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde has a molecular weight of 212.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 4975903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).