Basic information
- Standard SMILES
COC(=O)Cc1cc(Br)cnc1[N+](=O)[O-]- InChIKey
SOIWAAJQGRYREZ-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2O4
- Average molar mass
- 275.06 g/mol
Names & identifiers
- Preferred name
- (5-Bromo-2-nitro-pyridin-3-yl)-acetic acid methyl ester
- IUPAC
- methyl 2-(5-bromo-2-nitro-3-pyridinyl)acetate
Names & synonyms
SCHEMBL990747SOIWAAJQGRYREZ-UHFFFAOYSA-N(5-Bromo-2-nitro-pyridin-3-yl)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 66869327
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
4 records
Compound notes
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