- InChI
- InChI=1S/C6H4N2O/c7-5-6-1-3-8(9)4-2-6/h1-4H
- InChI Key
- QNCSFBSIWVBTHE-UHFFFAOYSA-N
- Formula
- C6H4N2O
- SMILES
- N#Cc1cc[n+]([O-])cc1
- Molecular Weight1
- 120.11
- CAS
- 14906-59-3
- Other Names
-
- 4-Cyanopyridine-N-oxide
- Isonicotinonitrile, 1-oxide
- 4-Cyanopyridine oxide
- 4-Cyanopyridine 1-oxide
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 873.40 | kJ/mol | NIST |
| BasG | 842.70 | kJ/mol | NIST |
| ΔsubH° | 104.40 ± 4.30 | kJ/mol | NIST |
| IE | 8.95 ± 0.02 | eV | NIST |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 0.192 | Crippen Calculated Property | |
| McVol | 88.870 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pyridinecarbonitrile, 1-oxide.
Sources
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