2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde

C11H8N2O2 — CID 166725655

IUPAC2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/C11H8N2O2/c14-7-8-1-3-12-10(5-8)11-6-9(15)2-4-13-11/h1-7H,(H,13,15)
InChIKeyPIUYAKKGGMVHFH-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.25
Rot. Bonds2

About 2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde

2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde (PubChem CID 166725655) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde
PubChem CID166725655
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/C11H8N2O2/c14-7-8-1-3-12-10(5-8)11-6-9(15)2-4-13-11/h1-7H,(H,13,15)
InChIKeyPIUYAKKGGMVHFH-UHFFFAOYSA-N
XLogP1.25
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
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-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde (CID 166725655) is 2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde is O=Cc1ccnc(-c2cc(=O)cc[nH]2)c1.
What is the InChIKey of 2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde?
The InChIKey is PIUYAKKGGMVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-7-8-1-3-12-10(5-8)11-6-9(15)2-4-13-11/h1-7H,(H,13,15).
What are the key properties of 2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde?
2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde has a molecular weight of 200.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1H-pyridin-2-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 166725655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).