- InChI
- InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
- InChI Key
- CSDSSGBPEUDDEE-UHFFFAOYSA-N
- Formula
- C6H5NO
- SMILES
- O=Cc1ccccn1
- Molecular Weight1
- 107.11
- CAS
- 1121-60-4
- Other Names
-
- Picolinaldehyde
- 2-Pyridinealdehyde
- Pyridine-2-carboxaldehyde
- Pyridine-2-aldehyde
- 2-Pyridylaldehyde
- 2-Pyridinecarbaldehyde
- «alpha»-Picolinaldehyde
- o-Nicotinaldehyde
- Picolinal
- Picolinic aldehyde
- 2-Formylpyridine
- 2-Picolinaldehyde
- 2-Picolinealdehyde
- 2-Pyridaldehyde
- 2-Pyridylcarboxaldehyde
- NSC 8951
- pyridine-2-carbaldehyde
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 9.75 ± 0.05 | eV | NIST |
| log10WS | -1.48 | Crippen Calculated Property | |
| logPoct/wat | 0.894 | Crippen Calculated Property | |
| McVol | 83.190 | ml/mol | McGowan Calculated Property |
| Inp | [943.00; 968.00] |
|
|
| Inp | 968.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 943.00 | NIST | |
| I | [1570.00; 1570.00] |
|
|
| I | 1570.00 | NIST | |
| I | 1570.00 | NIST | |
| Tboil | 454.20 | K | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 335.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Pyridinecarboxaldehyde.
Sources
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