Basic information
- Standard SMILES
O=[N+]([O-])c1cccnc1C1OCCO1- InChIKey
SEZFBAXDBCYIIS-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
Names & identifiers
- Preferred name
- 2-(1,3-Dioxolan-2-yl)-3-nitropyridine
- IUPAC
- 2-(1,3-dioxolan-2-yl)-3-nitropyridine
Names & synonyms
2-(1,3-dioxolan-2-yl)-3-nitropyridineMLS003115912NSC311457143621-31-2SCHEMBL1990688CHEMBL1863858SEZFBAXDBCYIIS-UHFFFAOYSA-NNSC-311457SMR001831475DB-291552
Database identifiers
- PubChem CID
- 329362
- ChEMBL
CHEMBL1863858
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
2 records
Compound notes
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