Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1IPO

Summary
Name:4-methoxy-2,3-dimethyl-pyridine
Formula:C8 H11 N O
Formal charge:0
Formula weight:137.179 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-methoxy-2,3-dimethyl-pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C8H11NO/c1-6-7(2)9-5-4-8(6)10-3/h4-5H,1-3H3
InChIKeyInChI1.06BZAARVXVDWLOFK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccnc(C)c1C
SMILESCACTVS3.385COc1ccnc(C)c1C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(nccc1OC)C
SMILESOpenEye OEToolkits2.0.7Cc1c(nccc1OC)C

251801

PDB entries from 2026-04-08

PDB statisticsPDBj update infoContact PDBjnumon