Basic information
- Standard SMILES
COC(=O)c1ccc(-c2cccc(C#N)n2)nn1- InChIKey
OUGFJYHOLWSHOX-UHFFFAOYSA-N- Molecular formula
- C12H8N4O2
- Average molar mass
- 240.22 g/mol
- Monoisotopic mass
- 240.06472551
Names & identifiers
- Preferred name
- Methyl 6-(6-Cyanopyridin-2-yl)-pyridazine-3-carboxylate
- IUPAC
- methyl 6-(6-cyano-2-pyridinyl)pyridazine-3-carboxylate
Names & synonyms
1042152-77-1Methyl 6-(6-Cyanopyridin-2-yl)-pyridazine-3-carboxylateSCHEMBL2162099OUGFJYHOLWSHOX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 58366265
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
1 records
Compound notes
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