1-methylpyridin-1-ium | SBID = 2416 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 3.88
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -4.16
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C6H8N+
M / g/mol: 94.13442
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1-methylpyridin-1-ium
  • Preferred Abbreviation: Methylpyridinium cation
  • IUPAC Name:
  • CAS:
  • CID: -1017
  • InChiKey: PQBAWAQIRZIWIV-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1
  • CanoSmiles: C[n+]1ccccc1
  • IsoSmiles: C[N+]1=CC=CC=C1