Basic information
- Standard SMILES
COC(=O)c1cnnn1Cc1cccc(Br)n1- InChIKey
LFPRPWCSFKRJQD-UHFFFAOYSA-N- Molecular formula
- C10H9BrN4O2
- Average molar mass
- 297.11 g/mol
Names & identifiers
- Preferred name
- Methyl 1-[(6-bromopyridin-2-yl)methyl]-1H-1,2,3-triazole-5-carboxylate
- IUPAC
- methyl 3-[(6-bromo-2-pyridinyl)methyl]triazole-4-carboxylate
Names & synonyms
SCHEMBL3510223LFPRPWCSFKRJQD-UHFFFAOYSA-NMethyl 1-[(6-bromopyridin-2-yl)methyl]-1H-1,2,3-triazole-5-carboxylate
Database identifiers
- PubChem CID
- 59525904
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
3 records
Compound notes
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