2-Chloropyridine N-oxide hydrochloride - CAS 20295-64-1

Catalog:	BB015780
Product Name:	2-Chloropyridine N-oxide hydrochloride
CAS:	20295-64-1
Synonyms:	2-chloro-1-oxidopyridin-1-ium;hydrochloride

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Computed Properties

IUPAC Name:	2-chloro-1-oxidopyridin-1-ium;hydrochloride
Description:	2-Chloropyridine N-oxide hydrochloride (CAS# 20295-64-1) is a useful research chemical.
Molecular Weight:	166.01
Molecular Formula:	C5H4ClNO · HCl
Canonical SMILES:	C1=CC=[N+](C(=C1)Cl)[O-].Cl
InChI:	InChI=1S/C5H4ClNO.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H
InChI Key:	GRZNODNSNCXOHE-UHFFFAOYSA-N
Boiling Point:	310 °C at 760 mmHg
Melting Point:	140-142 °C
Purity:	95 %
Density:	1.27 g/cm³
Solubility:	H2O
Appearance:	Beige powder
MDL:	MFCD00007913
LogP:	2.57050

Publication Number	Title	Priority Date
CA-3042684-A1	Azole amides and amines as .alpha.v integrin inhibitors	20161108
EP-3538527-A1	Azole amides and amines as alpha v integrin inhibitors	20161108
JP-2019537603-A	Azolamides and amines as alpha V integrin inhibitors	20161108
KR-20190076030-A	Azolamides and amines as alpha V integrin inhibitors	20161108
US-2019256513-A1	Azole amides and amines as alpha v integrin inhibitors	20161108

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.9748192
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.9748192
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0