Basic information
- Standard SMILES
CCOC(=O)Cn1cc(C(O)c2cccc(Br)n2)nn1- InChIKey
GGZDEAAWVZJIJL-UHFFFAOYSA-N- Molecular formula
- C12H13BrN4O3
- Average molar mass
- 341.16 g/mol
- Monoisotopic mass
- 340.0171
Names & identifiers
- Preferred name
- Ethyl{4-[(6-bromopyridin-2-yl)(hydroxy)methyl]-1h-1,2,3-triazol-1-yl}acetate
- IUPAC
- ethyl 2-[4-[(6-bromo-2-pyridinyl)-hydroxymethyl]triazol-1-yl]acetate
Names & synonyms
SCHEMBL13117354GGZDEAAWVZJIJL-UHFFFAOYSA-Nethyl{4-[(6-bromopyridin-2-yl)(hydroxy)methyl]-1h-1,2,3-triazol-1-yl}acetate
Database identifiers
- PubChem CID
- 59525849
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
1 records
Compound notes
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