4-Nitropyridine-d4 N-Oxide

CAT: 0024-sc-478048Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-478048Size:25 mg

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CAS Number

119673-94-8

Chemical Information

4-Nitropyridine-d4 N-Oxide

CAS Number	119673-94-8
PubChem CID	23658711
IUPAC Name	2,3,5,6-tetradeuterio-4-nitro-1-oxidopyridin-1-ium
Molecular Formula	C5H4N2O3
Molecular Weight	144.12
XLogP	-0.6
Topological Polar Surface Area	71.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	125

SMILES

[2H]C1=C([N+](=C(C(=C1[N+](=O)[O-])[2H])[2H])[O-])[2H]

InChI

InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H/i1D,2D,3D,4D

InChIKey

RXKNNAKAVAHBNK-RHQRLBAQSA-N

Chemical Structure

2D Structure

CAS: 119673-94-8

CID: 23658711

Formula: C5H4N2O3

MW: 144.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.12
XLogP3	-0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	144.04729898
Monoisotopic Mass	144.04729898
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-226765	4-Nitropyridine N-oxide
sc-491684	3-Fluoro-4-nitropyridine-N-oxide
sc-274390	2-Bromo-4-nitropyridine N-oxide
sc-216249	2-Methyl-4-nitropyridine N-Oxide
sc-261996A	4-Hydroxy-3-nitropyridine N-oxide
sc-261996	4-Hydroxy-3-nitropyridine N-oxide
sc-254200	2-Chloro-4-nitropyridine N-oxide
sc-266508	3-Bromo-4-nitropyridine N-oxide
sc-231169	2,6-Dichloro-4-nitropyridine N-oxide
sc-265535	2-Chloro-3-fluoro-4-nitropyridine N-oxide

Catalog	Name
HY-W087967S-01	4-Nitropyridine N-oxide-d4
433267-01	4-Nitropyridine-d4 N-Oxide
TRC-N519920-10G	4-Nitropyridine N-Oxide
285051-01	4-Nitropyridine-N-oxide
N11660-01	4-Nitropyridine-n-oxide 98%
424353-01	3-Bromo-4-nitropyridine N-Oxide
281700-01	2-Methyl-4-nitropyridine-N-oxide
267516-01	2-Chloro-4-nitropyridine-N-oxide
M325630	2-Methyl-4-nitropyridine N-Oxide
abx181726-01	2-Bromo-4-Nitropyridine N-Oxide