1,3-Benzodioxole-5-carbaldehyde 2-pyridinylhydrazone
Basic information
- CAS
2746-63-6- Standard SMILES
C(=N\Nc1ccccn1)/c1ccc2c(c1)OCO2- InChIKey
JGOKTUVPDMRZOW-OVCLIPMQSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-carbaldehyde 2-pyridinylhydrazone
- IUPAC
- N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]pyridin-2-amine
Names & synonyms
2746-63-61,3-Benzodioxole-5-carbaldehyde 2-pyridinylhydrazone1,3-Benzodioxole-5-carboxaldehyde,2-(2-pyridinyl)hydrazoneNSC98566NSC-98566SR-01000195718SR-01000195718-1N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]pyridin-2-amine
Database identifiers
- CAS
2746-63-6- PubChem CID
- 9562090
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
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