Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(C#CCOCCCCCCBr)nc1- InChIKey
UXVPDHVWZHTVDQ-UHFFFAOYSA-N- Molecular formula
- C14H17BrN2O3
- Average molar mass
- 341.2 g/mol
- Monoisotopic mass
- 340.04225
Names & identifiers
- Preferred name
- 2-[3-[(6-Bromohexyl)oxy]-1-propynyl]-5-nitropyridine
- IUPAC
- 2-[3-(6-bromohexoxy)prop-1-ynyl]-5-nitropyridine
Names & synonyms
SCHEMBL10467791UXVPDHVWZHTVDQ-UHFFFAOYSA-N2-[3-[(6-Bromohexyl)oxy]-1-propynyl]-5-nitropyridine
Database identifiers
- PubChem CID
- 19854800
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
4 records
Compound notes
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