Cas no 62885-51-2 (2-Pyridinecarboxaldehyde, 4,5-dimethoxy-)

2-Pyridinecarboxaldehyde, 4,5-dimethoxy- is a versatile heterocyclic aldehyde featuring a pyridine core substituted with dimethoxy groups at the 4 and 5 positions. This compound is particularly valuable in organic synthesis, serving as a key intermediate for the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The presence of both aldehyde and methoxy functionalities enhances its reactivity, enabling selective modifications such as condensation, reduction, or nucleophilic addition reactions. Its structural features make it useful in constructing complex molecular frameworks, particularly in medicinal chemistry for drug discovery. The compound’s stability and well-defined reactivity profile ensure consistent performance in synthetic applications.

2-Pyridinecarboxaldehyde, 4,5-dimethoxy- structure

62885-51-2 structure

Product Name:2-Pyridinecarboxaldehyde, 4,5-dimethoxy-

CAS No:62885-51-2

MF:C₈H₉NO₃

MW:167.161962270737

CID:429211

PubChem ID:15453393

Update Time:2025-06-07

2-Pyridinecarboxaldehyde, 4,5-dimethoxy- Chemical and Physical Properties

Names and Identifiers

- 2-Pyridinecarboxaldehyde, 4,5-dimethoxy-
- 4,5-dimethoxypicolinaldehyde
- 4,5-dimethoxypyridine-2-carbaldehyde
- D85760
- SCHEMBL1223854
- DTXSID70572921
- 62885-51-2
- WS-02644
- DB-331842
- Inchi： 1S/C8H9NO3/c1-11-7-3-6(5-10)9-4-8(7)12-2/h3-5H,1-2H3
- InChI Key： KXPKIBQRWFXZCL-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(C=O)=NC=C1OC

Computed Properties

Exact Mass: 167.05827
Monoisotopic Mass: 167.058243149g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 12
Rotatable Bond Count: 3
Complexity: 151
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.6
Topological Polar Surface Area: 48.4?2

Experimental Properties

PSA: 48.42

2-Pyridinecarboxaldehyde, 4,5-dimethoxy- Pricemore >>

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