Basic information
- Standard SMILES
Cc1cncc(-c2cc(C=O)c(C)o2)c1- InChIKey
XBUMSTBDGDLOEE-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 5-(5-Methylpyridin-3-yl)-2-methylfuran-3-carbaldehyde
- IUPAC
- 2-methyl-5-(5-methyl-3-pyridinyl)furan-3-carbaldehyde
Names & synonyms
SCHEMBL3104461XBUMSTBDGDLOEE-UHFFFAOYSA-N5-(5-methylpyridin-3-yl)-2-methylfuran-3-carbaldehyde
Database identifiers
- PubChem CID
- 86646388
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
2 records
Compound notes
Loading…