Basic information
- Standard SMILES
N#Cc1cccnc1-n1cc(Br)cc1-c1nc2c(Br)cc(Br)cc2c(=O)o1- InChIKey
HBRUENFYJMMMAG-UHFFFAOYSA-N- Molecular formula
- C18H7Br3N4O2
- Average molar mass
- 551 g/mol
Names & identifiers
- Preferred name
- 6,8-dibromo-2-[4-bromo-1-(3-cyano-2-pyridinyl)-1H-pyrrol-2-yl]-4H-3,1-benzoxazine-4-one
- IUPAC
- 2-[4-bromo-2-(6,8-dibromo-4-oxo-3,1-benzoxazin-2-yl)pyrrol-1-yl]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL950489HBRUENFYJMMMAG-UHFFFAOYSA-N6,8-dibromo-2-[4-bromo-1-(3-cyano-2-pyridinyl)-1H-pyrrol-2-yl]-4H-3,1-benzoxazine-4-one
Database identifiers
- PubChem CID
- 66853993
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 681
Related reactions
2 records
Compound notes
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