BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-pyridine Aldoxime

Graphical representations:

3-pyridine aldoxime image

Molecular Formula: C6 H6 N2 O

Natural Isotopic Abundance Mass: 122.12464

Mono-Isotopic Molecular Masses:

  • C12N14: 122.0480128251
  • C13N14: 128.0681418519
  • C12N15: 124.0420826115
  • C13N15: 130.0622116383

InCHi String:

canonical SMILES: C1=CC(=CN=C1)C=NO

isomeric SMILES: C1=CC(=CN=C1)/C=N/O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
(NE)-N-(pyridin-3-ylmethylidene)hydroxylamine

PUBCHEM iupac TRADITIONAL NAME
nicotinaldehyde oxime

PUBCHEM iupac OPENEYE NAME
pyridine-3-carbaldehyde oxime

PUBCHEM iupac CAS NAME
3-pyridinecarboxaldehyde oxime

PubChem Substance (SID):   111677764   24898713   10398212
PubChem Compound (CID):   5324568
KEGG: Compound ID   P58405_ALDRICH
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich P58405_ALDRICH   NIST Chemistry WebBook 1956383805   NIST 3881115147   MMCD cq_10415   MDL MFCD00006409

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.