4-methylpyridine | SBID = 1433 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 6
PubChem TPSA/Å2: 12.9
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.2
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
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: 80.6
Sum Formula: C6H7N
M / g/mol: 93.13
Complexity: 46.0
Number of Conformers: 1.0

Identifiers

  • Tags: aromatic, typical guest
  • Name: 4-methylpyridine
  • Preferred Abbreviation: 4-methylpyridine
  • IUPAC Name: 4-methylpyridine
  • CAS: 108-89-4
  • CID: 7963
  • InChiKey: FKNQCJSGGFJEIZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
  • CanoSmiles: CC1=CC=NC=C1
  • IsoSmiles: CC1=CC=NC=C1