2,6-Pyridinedicarboxaldehyde 2,6-dioxime
Basic information
- CAS
2851-68-5- Standard SMILES
ON=Cc1cccc(C=NO)n1- InChIKey
JBWQJYCKKIWNAM-UHFFFAOYSA-N- Molecular formula
- C7H7N3O2
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.05382648
Names & identifiers
- Preferred name
- 2,6-Pyridinedicarboxaldehyde 2,6-dioxime
- IUPAC
- N-[[6-(hydroxyiminomethyl)-2-pyridinyl]methylidene]hydroxylamine
- English name
- pyridine-2,6-dicarbaldehyde dioxime
- Molecular formula
- C7H7N3O2
- Molecular weight
- 165.15
Names & synonyms
2,6-Pyridinedicarboxaldehyde 2,6-dioximeNCIOpen2_000116pyridine-2,6-dialdehyde dioximeSCHEMBL11602459DTXSID7012708152,6-Pyridinedicarboxaldehyde dioximeNS00050004N,N'-(Pyridine-2,6-diyldimethanylylidene)dihydroxylamine2,6-Pyridinedicarbaldehyde dioximepyridine-2,6-dicarbaldehyde dioxime
Database identifiers
- CAS
2851-68-5- PubChem CID
- 96323
- DTXSID
DTXSID701270815
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 202 °C · 202 °C (decomp)
- Boiling point
- 350.431 · 350.431±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.317 · 1.317±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.21 · 10.21 (pKa2)(Temp: 20 °C; Solvent: Water)
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Compound notes
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