Basic information
- Standard SMILES
COc1nc(C(Br)Br)c([N+](=O)[O-])cc1C- InChIKey
YEVNOSQZTKFKRW-UHFFFAOYSA-N- Molecular formula
- C8H8Br2N2O3
- Average molar mass
- 339.97 g/mol
- Monoisotopic mass
- 337.89017
Names & identifiers
- Preferred name
- 2-(Dibromomethyl)-6-methoxy-5-methyl-3-nitropyridine
- IUPAC
- 2-(dibromomethyl)-6-methoxy-5-methyl-3-nitropyridine
Names & synonyms
2-(dibromomethyl)-6-methoxy-5-methyl-3-nitropyridineSCHEMBL1674722YEVNOSQZTKFKRW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 44596485
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Related reactions
3 records
Compound notes
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