4-Cyanopyridine 1-Oxide

CAT: 1299-RG-C250106-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-C250106-01Size:10 mg

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CAS Number

14906-59-3

Synonyms

4-cyanopyridine 1-oxide

Molecular Formula

C6H4N2O

Molecular Weight

120.11

Product Name Synonym

4-cyanopyridine 1-oxide

Chemical Information

4-Pyridinecarbonitrile, 1-oxide

CAS Number	14906-59-3
PubChem CID	84684
IUPAC Name	1-oxidopyridin-1-ium-4-carbonitrile
Molecular Formula	C6H4N2O
Molecular Weight	120.11
XLogP	-0.9
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	129

SMILES

C1=C[N+](=CC=C1C#N)[O-]

InChI

InChI=1S/C6H4N2O/c7-5-6-1-3-8(9)4-2-6/h1-4H

InChIKey

QNCSFBSIWVBTHE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14906-59-3

CID: 84684

Formula: C6H4N2O

MW: 120.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	120.11
XLogP3	-0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	120.032362755
Monoisotopic Mass	120.032362755
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	129
Isotope Atom Count	0
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
RG-C250108-01	2-Cyanopyridine 1-Oxide
RG-A261511-01	3-Cyanopyridine 1-Oxide
RG-C141600-01	4-Cyanopyridine
RG-M050808-01	4-Methylpyridine 1-Oxide
RG-C011803-01	4-Carboxypyridine 1-Oxide
RG-A262284-01	4- (4-Aminophenyl) -1-Methylpiperazine 1-Oxide
RG-D090549-01	4- (dimethylamino) pyridine 1-oxide
RG-M052091-01	4- (Methoxycarbonyl) Pyridine 1-Oxide
RG-T181301-01	2,4,6-Triaminopyrimidine 1-Oxide
RG-D090107-01	Diazene, Bis (4-Fluorophenyl) -, 1-Oxide

Catalog	Name
007239	4-Cyanopyridine N-Oxide
OR0315-01	4-Cyanopyridine-N-oxide
C29235-01	4-Cyanopyridine-N-oxide 97%
233118-01	4-Cyanopyridine N-oxide 99+.9%
sc-266626	3-Cyanopyridine N-oxide
AR-N08582-01	Nicotinamide Impurity 1 (3-Cyanopyridine N-oxide)
OR1048959-01	1,4-Oxathiane 4-oxide
TRC-P991500-500MG	4-Pyridinecarboxamide 1-Oxide
RDA19551-01	4-Thiepanone 1-oxide
275359-01	4-Ethylpyridine 1-oxide