4-(5-Nitropyridin-2-yl)butanenitrile
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Basic information
- Standard SMILES
N#CCCCc1ccc([N+](=O)[O-])cn1- InChIKey
WOKKXPXZCDUTIR-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- 4-(5-Nitropyridin-2-yl)butanenitrile
- IUPAC
- 4-(5-nitro-2-pyridinyl)butanenitrile
Names & synonyms
SCHEMBL12493622WOKKXPXZCDUTIR-UHFFFAOYSA-N4-(5-nitropyridin-2-yl)butanenitrile
Database identifiers
- PubChem CID
- 68292007
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
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Related reactions
2 records
Compound notes
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