3-Methyl-4-nitropyridine N-oxide

CAT: 0127-OR0074Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR0074Size:5 g

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CAS Number

1074-98-2

Synonyms

4-Nitro-3-picoline N-oxide, 3-Methyl-4-nitropyridinium-1-olate

MDL Number

MFCD00014626

Purity

99%

Smiles

Cc1c[n+]([O-])ccc1[N+](=O)[O-]

Chemical Information

Pyridine, 3-methyl-4-nitro-, 1-oxide

structure

CAS Number	1074-98-2
PubChem CID	70633
IUPAC Name	3-methyl-4-nitro-1-oxidopyridin-1-ium
Molecular Formula	C6H6N2O3
Molecular Weight	154.12
XLogP	0.1
Topological Polar Surface Area	71.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	156

SMILES

CC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H3

InChIKey

SSOURMYKACOBIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1074-98-2

CID: 70633

Formula: C6H6N2O3

MW: 154.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.12
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	154.03784206
Monoisotopic Mass	154.03784206
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	156
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
OR22458	2-Methyl-4-nitropyridine N-oxide
OR13621-01	4-Nitropyridine N-oxide
OR912472-01	3-Chloro-4-nitropyridine n-oxide
OR2037-01	4-Hydroxy-3-nitropyridine N-oxide
OR40457-01	3-Bromo-4-nitropyridine N-oxide
PC53338-01	3-Fluoro-4-nitropyridine-N-oxide
OR902125-01	2-Chloro-5-methyl-4-nitropyridine N-oxide
OR14761-01	2,3-Dimethyl-4-nitropyridine-N-oxide
OR902101	2-Chloro-3-methyl-4-nitropyridine 1-oxide
OR912604-01	2-Chloro-4-nitropyridine-N-oxide

Catalog	Name
281700-01	2-Methyl-4-nitropyridine-N-oxide
M325630	2-Methyl-4-nitropyridine N-Oxide
TRC-N519920-10G	4-Nitropyridine N-Oxide
285051-01	4-Nitropyridine-N-oxide
425677-01	3-Fluoro-4-nitropyridine-N-oxide
424353-01	3-Bromo-4-nitropyridine N-Oxide
CS-AC-10613	3-Chloro-4-nitropyridine n-oxide
sc-261996A	4-Hydroxy-3-nitropyridine N-oxide
abx183406-01	3-Fluoro-4-nitropyridine N-oxide
HY-W087967S-01	4-Nitropyridine N-oxide-d4