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COCONUT Compound

4-METHYLPYRIDINE

CNP0116906.0 · C6H7N · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name4-METHYLPYRIDINE
IUPAC Name4-methylpyridine
COCONUT IDCNP0116906.0
CAS108-89-4, 69046-49-7, 92075-35-9
InChIKeyFKNQCJSGGFJEIZ-UHFFFAOYSA-N
InChIInChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
SMILESCC1=CC=NC=C1

Properties

Molecular FormulaC6H7N
Molecular Weight93.13
Exact Mass93.05785
Log P (ALogP)1.39
TPSA12.89
H-Bond Donors / Acceptors0 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.47
NP-likeness-1.31

Classification

NP PathwayAlkaloids
NP SuperclassNicotinic acid alkaloids
NP ClassPyridine alkaloids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassPyridines and derivatives
Chemical SubclassPyridines and derivatives

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT

References (3)

  1. 10.1016/J.CHROMA.2004.03.057
  2. 10.1016/S0031-9422(00)82932-5
  3. 10.1021/JF60201A032

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.