- InChI
- InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3
- InChI Key
- RYFOJXFXERAMLS-UHFFFAOYSA-N
- Formula
- C10H10N2
- SMILES
- Cn1cccc1-c1cccnc1
- Molecular Weight1
- 158.20
- CAS
- 487-19-4
- Other Names
-
- Pyridine, 3-(1-methyl-1H-pyrrol-2-yl)-
- Pyridine, 3-(1-methylpyrrol-2-yl)-
- «beta»-Nicotyrine
- 1-Methyl-2-(3-pyridyl)pyrrole
- 3-(1-Methyl-2-pyrrolyl)pyridine
- 3,2'-Nicotyrine
- Pyridine, 3-(1-methyl-2-pyrrolyl)-
- 3-(1-Methyl-1H-pyrrol-2-yl)pyridine
- NSC 127943
- 3-(1-methylpyrrol-2-yl)pyridine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4190 | Relay (1.0) Calculated Property | |
| ΔfG° | 324.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 246.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.087 | Crippen Calculated Property | |
| McVol | 128.500 | ml/mol | McGowan Calculated Property |
| Pc | 4416.58 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1488.40 | NIST | |
| Tboil | 556.85 | K | Relay (1.0) Calculated Property |
| Tc | 809.40 | K | Relay (1.0) Calculated Property |
| Tfus | 292.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nicotyrine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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