1-Methyl-4-(pyridin-4-yl)pyridinium | SBID = 1231 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 16.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 141.2 | ||
| Sum Formula: | C11H11N2+ | ||
| M / g/mol: | 171.22 | ||
| Complexity: | 144.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, cation, typical guest, dye, charged
- Name: 1-Methyl-4-(pyridin-4-yl)pyridinium
- Preferred Abbreviation: Monoquat
- IUPAC Name: 1-methyl-4-pyridin-4-ylpyridin-1-ium
- CAS:
- CID: 38116
- InChiKey: PFFANLXVTHIIBE-UHFFFAOYSA-N
- InChi: InChI=1S/C11H11N2/c1-13-8-4-11(5-9-13)10-2-6-12-7-3-10/h2-9H,1H3/q+1
- CanoSmiles: C[N+]1=CC=C(C=C1)C2=CC=NC=C2
- IsoSmiles: C[N+]1=CC=C(C=C1)C2=CC=NC=C2
