Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

IIS

Summary
Name:4-iodanylpyridin-2-amine
Formula:C5 H5 I N2
Formal charge:0
Formula weight:220.011 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-iodanylpyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
InChIKeyInChI1.06RSMQQONIFJLFAK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1cc(I)ccn1
SMILESCACTVS3.385Nc1cc(I)ccn1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cnc(cc1I)N
SMILESOpenEye OEToolkits2.0.7c1cnc(cc1I)N

225681

数据于2024-10-02公开中

PDB statisticsPDBj update infoContact PDBjnumon