- InChI
- InChI=1S/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H
- InChI Key
- BSDGZUDFPKIYQG-UHFFFAOYSA-N
- Formula
- C5H4BrN
- SMILES
- Brc1ccncc1
- Molecular Weight1
- 158.00
- CAS
- 1120-87-2
- Other Names
-
- Pyridine, 4-bromo-
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| PAff | 917.80 | kJ/mol | NIST |
| BasG | 886.00 | kJ/mol | NIST |
| IE | [9.94; 10.00] | eV |
|
| IE | 10.00 ± 0.10 | eV | NIST |
| IE | 9.94 ± 0.05 | eV | NIST |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 1.844 | Crippen Calculated Property | |
| McVol | 85.030 | ml/mol | McGowan Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 302.20 | K | 0.05 | NIST |
Similar Compounds
Find more compounds similar to 4-Bromopyridine.
Sources
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