Basic information
- Standard SMILES
Cc1ccc(C(=O)Cc2ccncc2)cn1- InChIKey
BREBUSGUHZWORT-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- 1-(6-Methylpyridin-3-yl)-2-(4-pyridyl)ethanone
- IUPAC
- 1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethanone
Names & synonyms
SCHEMBL2932342BREBUSGUHZWORT-UHFFFAOYSA-NAKOS0124568721-(6-methylpyridin-3-yl)-2-(4-pyridyl)ethanone
Database identifiers
- PubChem CID
- 63155502
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Related reactions
2 records
Compound notes
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