4-(6-bromo-1H-indol-2-yl)-6-pyridin-4-yl-2H-pyridazin-3-one
Basic information
- Standard SMILES
O=c1[nH]nc(-c2ccncc2)cc1-c1cc2ccc(Br)cc2[nH]1- InChIKey
LDXANIBRFBCGGT-UHFFFAOYSA-N- Molecular formula
- C17H11BrN4O
- Average molar mass
- 367.2 g/mol
- Monoisotopic mass
- 366.01162
Names & identifiers
- Preferred name
- 4-(6-bromo-1H-indol-2-yl)-6-pyridin-4-yl-2H-pyridazin-3-one
- IUPAC
- 5-(6-bromo-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
Names & synonyms
SCHEMBL3426781LDXANIBRFBCGGT-UHFFFAOYSA-N4-(6-bromo-1H-indol-2-yl)-6-pyridin-4-yl-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 135961872
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 541
Related reactions
1 records
Compound notes
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