2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde

C12H8N2O2 — CID 144804032

IUPAC2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1C(=O)c1ccccn1
InChIInChI=1S/C12H8N2O2/c15-8-9-4-3-7-14-11(9)12(16)10-5-1-2-6-13-10/h1-8H
InChIKeyCHKWHFLRIVXYPL-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.52
Rot. Bonds3

About 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde

2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde (PubChem CID 144804032) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde
PubChem CID144804032
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1C(=O)c1ccccn1
InChIInChI=1S/C12H8N2O2/c15-8-9-4-3-7-14-11(9)12(16)10-5-1-2-6-13-10/h1-8H
InChIKeyCHKWHFLRIVXYPL-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-formyl-N-methylpyridine-2-carboxamide
CID 89245626
2-(5-chloro-2-hydroxybenzoyl)pyridine-3-carbaldehyde
CID 19701612
dipyridin-2-ylmethanone;4-phenylbenzaldehyde
CID 87196974
CID 173156131
CID 173156131
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
gadolinium;pyridine-2-carboxylic acid
CID 175231422
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
CID 175246691
CID 175246691
hafnium;pyridine-2-carboxylic acid
CID 175130925
phosphanyl(pyridin-2-yl)methanone
CID 89397457
pyridine-2-carbothioic S-acid
CID 158789814

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde (CID 144804032) is 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde is O=Cc1cccnc1C(=O)c1ccccn1.
What is the InChIKey of 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde?
The InChIKey is CHKWHFLRIVXYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-8-9-4-3-7-14-11(9)12(16)10-5-1-2-6-13-10/h1-8H.
What are the key properties of 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde?
2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde has a molecular weight of 212.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-2-carbonyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 144804032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).