Basic information
- Standard SMILES
CCC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1- InChIKey
KQXSSSIOJITHFG-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- 5-Nitro-2-(4-(tert-pentyl)phenoxy)pyridine
- IUPAC
- 2-[4-(2-methylbutan-2-yl)phenoxy]-5-nitropyridine
Names & synonyms
SCHEMBL15055631KQXSSSIOJITHFG-UHFFFAOYSA-N5-nitro-2-(4-(tert-pentyl)phenoxy)pyridine
Database identifiers
- PubChem CID
- 89648334
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
1 records
Compound notes
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