<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">291936</id>
  <title nil="true"/>
  <common-name>(ne)-n-[[1-[(4-methylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine</common-name>
  <description>(ne)-n-[[1-[(4-methylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine belongs to the methylpyridines, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C14H17N3O2+2 and an average molecular weight of 259.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>135891256</pubchem-id>
  <chemical-formula>C14H17N3O2+2</chemical-formula>
  <weight>259.3</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-28T07:09:35Z</created-at>
  <updated-at type="dateTime">2026-08-28T07:09:35Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=CC=[N+](C=C1)COC[N+]2=CC=CC=C2C=NO</moldb-smiles>
  <moldb-formula>C14H17N3O2+2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H16N3O2/c1-13-5-8-16(9-6-13)11-19-12-17-7-3-2-4-14(17)10-15-18/h2-10H,11-12H2,1H3/q+1/p+1</moldb-inchi>
  <moldb-inchikey>YMPJXGLOYLJYKS-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">259.1320768</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM287829</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(ne)-n-[[1-[(4-methylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass>Methylpyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0243505</sync-id>
  <structure-inchikey>YMPJXGLOYLJYKS-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>20000000000000800000000000000000040000000000000000004800000000000000000000000001000000000010000000200000000001000000000000000000000000000100000000000000000000000000000300000004000000000000000000010400000004000090080000000000000000000000000000001000000000000040800000800000000000000000000000000100000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000808000000002000000300000000000000000100000000000050000000001080000000000800000080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>403080000102024000000800010820000080040004052000003500620200010c5002201000800000000041000280000004200024408c30010020643000a00000c4110c00020000000090100011720000000101904200013240000422000041000c2004040840020000400400c41402002000807009098004113808000251000a024800880c40800808021200080c0008111c0012440015820040080000400020004310000010c00000000840016c25100ac00000884108401000020000c002100000000404000a120180000000210280000000000242400009000100080000000000000000090004000000104003200000100010804200060000000070000000</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFAAAAIABBgBgAAAAAQMGQCgAAAAD
BAZAaAAAAAMDAQZAaAAAAAMDAQdgKgAAAAEDBAZAaAAAAAMDAQZAaAAAAAMD
AQYAYAAAAAICCAAgAAAAAgYAYAAAAAICB2AqAAAAAQMEBkBoAAAAAwMBBkBo
AAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGAGgAAAADAwEHACgA
AAADAwgAaAAAAAMBAQsAAQABAmgMAgNoDAMEaAwEBWgMBQZoDAQHAAcIAAgJ
AAkKAAoLaAwLDGgMDA1oDA0OaAwOD2gMDxAgEBEoAhESIAYBaAwPCmgMQgIA
AAAGAQYFBAMCBgsMDQ4PChcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:04:11Z</structure-indexed-at>
</compound>
