Pyridine-2-aldoxime - CAS 873-69-8

Catalog:	BB038408
Product Name:	Pyridine-2-aldoxime
CAS:	873-69-8
Synonyms:	(2E)-2-pyridinecarboxaldehyde oxime; (NE)-N-(pyridin-2-ylmethylidene)hydroxylamine

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Computed Properties

IUPAC Name:	(NE)-N-(pyridin-2-ylmethylidene)hydroxylamine
Description:	Pyridine-2-aldoxime (CAS# 873-69-8) is a useful research chemical.
Molecular Weight:	122.12
Molecular Formula:	C6H6N2O
Canonical SMILES:	C1=CC=NC(=C1)C=NO
InChI:	InChI=1S/C6H6N2O/c9-8-5-6-3-1-2-4-7-6/h1-5,9H/b8-5+
InChI Key:	MTFJSAGADRTKCI-VMPITWQZSA-N
Boiling Point:	198 °C at 760 mmHg
Density:	1.14 g/cm³
Appearance:	White crystalline solid
LogP:	0.88970

Publication Number	Title	Priority Date
US-2013058910-A1	Decontamination of chemical and biological agents	20110228
CN-102414205-A	Isoxazole-pyrazole derivatives	20090505
CN-102414205-B	Isoxazole-pyrazole derivatives	20090505
CN-102414206-A	Isoxazole-pyridine derivatives	20090505
CN-102414206-B	Isoxazole-pyridine derivatives	20090505

PMID	Publication Date	Title	Journal
31173753	20190801	The mechanism and benefit of human butyrylcholinesterase activation by what would otherwise be inhibitors	Chemico-biological interactions
30125110	20180913	Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents	Journal of medicinal chemistry
26210933	20160226	Investigation of the reactivation kinetics of a large series of bispyridinium oximes with organophosphate-inhibited human acetylcholinesterase	Toxicology letters
22904745	20120801	Bis(acetato-κO)bis-(2-pyridine-aldoxime-κ(2)N,N')cadmium	Acta crystallographica. Section E, Structure reports online
22590075	20120501	Bis(acetato-κO)bis-(pyridine-2-aldoxime-κ(2)N,N')nickel(II)	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	122.048012819
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7