Basic information
- Standard SMILES
CCOC(=O)Cn1cc(C(C)(O)c2cccc(Br)n2)nn1- InChIKey
NLBMVAZCUNXMLT-UHFFFAOYSA-N- Molecular formula
- C13H15BrN4O3
- Average molar mass
- 355.19 g/mol
- Monoisotopic mass
- 354.03275
Names & identifiers
- Preferred name
- ethyl{4-[1-(6-bromopyridin-2-yl)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}acetate
- IUPAC
- ethyl 2-[4-[1-(6-bromo-2-pyridinyl)-1-hydroxyethyl]triazol-1-yl]acetate
Names & synonyms
SCHEMBL13117352NLBMVAZCUNXMLT-UHFFFAOYSA-Nethyl{-4-[1-(6-bromopyridin-2-yl)-1-hydroxyethyl]-1h-1,2,3-triazol-1-yl}acetateethyl{4-[1-(6-bromopyridin-2-yl)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}acetate
Database identifiers
- PubChem CID
- 59526331
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
2 records
Compound notes
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