Basic information
- Standard SMILES
COC(CC(c1ccccn1)c1ccccn1)OC- InChIKey
PJNYJDQZDSEPMZ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- 3,3-Bis-(2-pyridyl)propionaldehyde dimethyl acetal
- IUPAC
- 2-(3,3-dimethoxy-1-pyridin-2-ylpropyl)pyridine
Names & synonyms
SCHEMBL6484193PJNYJDQZDSEPMZ-UHFFFAOYSA-N3,3-bis-(2-pyridyl)propionaldehyde dimethyl acetal
Database identifiers
- PubChem CID
- 22482093
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 228
Related reactions
4 records
Compound notes
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