Pyridine-N-oxide-d5

CAT: 0024-sc-212606Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-212606Size:1 g

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CAS Number

19639-76-0

Chemical Information

Pyridine-d5 N-oxide

CAS Number	19639-76-0
PubChem CID	16213792
IUPAC Name	2,3,4,5,6-pentadeuterio-1-oxidopyridin-1-ium
Molecular Formula	C5H5NO
Molecular Weight	100.13
XLogP	-1.2
Topological Polar Surface Area	25.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	50

SMILES

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

InChI

InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

InChIKey

ILVXOBCQQYKLDS-RALIUCGRSA-N

Chemical Structure

2D Structure

CAS: 19639-76-0

CID: 16213792

Formula: C5H5NO

MW: 100.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.13
XLogP3	-1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	100.068497513
Monoisotopic Mass	100.068497513
Topological Polar Surface Area	25.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	50
Isotope Atom Count	5
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-250817	Pyridine N-oxide
sc-480108	Amisulpride-d5 N-Oxide
sc-498811	Fenspiride-d5 N-Oxide
sc-497373	Ebastine-d5 N-Oxide
sc-218883	Mosapride-d5 N-Oxide
sc-478683	Pimozide-d5 N-Oxide
sc-211260	Desloratadine Pyridine N-oxide
sc-211631	Imatinib (Pyridine) -N-oxide
sc-281141	Pyridine-d5
sc-232258	4- (Benzyloxy) pyridine N-oxide

Catalog	Name
MBS6114811-01	Pyridine-N-oxide-d5
286398-01	Pyridine-N-oxide
AR-P33323-01	Pyridine N-Oxide
CS-O-46378	Chlorpheniramine N-oxide (Pyridine-N-oxide)
AR-N01536-01	Nilotinib N-Oxide (Pyridine N-Oxide)
HY-W741847-01	Tapentadol N-Oxide-d5
CS-T-61592	Tapentadol-d5 N-Oxide
HY-14545S1-01	Amisulpride-d5 N-Oxide
AR-D02187-01	Donepezil N-Oxide-d5
CS-T-103839	Benzydamine-D5 N-oxide