2-(6-oxo-1H-pyridin-3-yl)benzaldehyde

C12H9NO2 — CID 53217523

IUPAC2-(6-oxo-1H-pyridin-3-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C12H9NO2/c14-8-10-3-1-2-4-11(10)9-5-6-12(15)13-7-9/h1-8H,(H,13,15)
InChIKeyZEYYUHOMSXVVPO-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.85
Rot. Bonds2

About 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde

2-(6-oxo-1H-pyridin-3-yl)benzaldehyde (PubChem CID 53217523) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(6-oxo-1H-pyridin-3-yl)benzaldehyde
PubChem CID53217523
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-(6-oxo-1H-pyridin-3-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C12H9NO2/c14-8-10-3-1-2-4-11(10)9-5-6-12(15)13-7-9/h1-8H,(H,13,15)
InChIKeyZEYYUHOMSXVVPO-UHFFFAOYSA-N
XLogP1.85
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde 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 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde?
The IUPAC name of 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde (CID 53217523) is 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde.
What is the SMILES notation for 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde?
The canonical SMILES for 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde is O=Cc1ccccc1-c1ccc(=O)[nH]c1.
What is the InChIKey of 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde?
The InChIKey is ZEYYUHOMSXVVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-8-10-3-1-2-4-11(10)9-5-6-12(15)13-7-9/h1-8H,(H,13,15).
What are the key properties of 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde?
2-(6-oxo-1H-pyridin-3-yl)benzaldehyde has a molecular weight of 199.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyridin-3-yl)benzaldehyde is sourced from PubChem (CID 53217523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).