Basic information
- Standard SMILES
CC(C)Cn1nc(-c2ccc(F)cc2F)cc(C(=O)O)c1=O- InChIKey
IALQKUQGTJTIAV-UHFFFAOYSA-N- Molecular formula
- C15H14F2N2O3
- Average molar mass
- 308.28 g/mol
Names & identifiers
- Preferred name
- 4-carboxy-6-(2,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one
- IUPAC
- 6-(2,4-difluorophenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylic acid
Names & synonyms
SCHEMBL1926232IALQKUQGTJTIAV-UHFFFAOYSA-N4-carboxy-6-(2,4-difluorophenyl)-2-isobutyl-2H-pyridazi n-3-one4-carboxy-6-(2,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991613
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 531
Related reactions
4 records
Compound notes
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