Basic information
- Standard SMILES
CC(C)Oc1cc(C2=CCN(C)CC2)ncc1[N+](=O)[O-]- InChIKey
JOERYONJEKGEMI-UHFFFAOYSA-N- Molecular formula
- C14H19N3O3
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.14264148
Names & identifiers
- Preferred name
- 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-4-propan-2-yloxypyridine
- IUPAC
- 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-4-propan-2-yloxypyridine
Names & synonyms
1462950-93-1SCHEMBL15283029JOERYONJEKGEMI-UHFFFAOYSA-NDA-442811'-methyl-5-nitro-4-(propan-2-yloxy)-1',2',3',6'-tetrahydro-2,4'-bipyridine
Database identifiers
- PubChem CID
- 86697993
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
2 records
Compound notes
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