Basic information
- Standard SMILES
O=C(c1cc(Br)ccc1O)c1ncccc1C1OCCO1- InChIKey
CKTRGYGENAPUHB-UHFFFAOYSA-N- Molecular formula
- C15H12BrNO4
- Average molar mass
- 350.16 g/mol
Names & identifiers
- Preferred name
- 2-(5-Bromo-2-hydroxybenzoyl)-3-(1,3-dioxolan-2-yl)pyridine
- IUPAC
- (5-bromo-2-hydroxyphenyl)-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
Names & synonyms
SCHEMBL8710460CKTRGYGENAPUHB-UHFFFAOYSA-N2-(5-bromo-2-hydroxybenzoyl)-3-(1,3-dioxolan-2-yl)pyridine
Database identifiers
- PubChem CID
- 19701635
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
2 records
Compound notes
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