2-Methyl-4-nitropyridine N-oxide

CAT: 0127-OR22458Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR22458Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

5470-66-6

Synonyms

2-Methyl-4-nitropyridinium-1-olate, 4-Nitro-2-picoline N-oxide

MDL Number

MFCD00014625

Purity

=95%

Smiles

Cc1cc(cc[n+]1[O-])[N+](=O)[O-]

Chemical Information

Pyridine, 2-methyl-4-nitro-, 1-oxide

CAS Number	5470-66-6
PubChem CID	95291
IUPAC Name	2-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=[N+](C=CC(=C1)[N+](=O)[O-])[O-]

InChI

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

InChIKey

FTTIAVRPJGCXAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5470-66-6

CID: 95291

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
OR0074	3-Methyl-4-nitropyridine N-oxide
OR902125-01	2-Chloro-5-methyl-4-nitropyridine N-oxide
OR13621-01	4-Nitropyridine N-oxide
OR912604-01	2-Chloro-4-nitropyridine-N-oxide
OR14761-01	2,3-Dimethyl-4-nitropyridine-N-oxide
OR912603-01	2,6-Dichloro-4-nitropyridine-N-oxide
OR929296-01	5-Bromo-2-methyl-4-nitropyridine 1-oxide
OR902101	2-Chloro-3-methyl-4-nitropyridine 1-oxide
OR912472-01	3-Chloro-4-nitropyridine n-oxide
OR2037-01	4-Hydroxy-3-nitropyridine N-oxide

Catalog	Name
281700-01	2-Methyl-4-nitropyridine-N-oxide
M325630	2-Methyl-4-nitropyridine N-Oxide
MCA51608	5-Bromo-2-methyl-4-nitropyridine-N-oxide
abx183237-01	2-Methyl-4-nitropyridine 1-oxide
018312-01	4-Nitropyridine N-Oxide
285051-01	4-Nitropyridine-N-oxide
267516-01	2-Chloro-4-nitropyridine-N-oxide
abx181726-01	2-Bromo-4-Nitropyridine N-Oxide
sc-254200	2-Chloro-4-nitropyridine N-oxide
HY-W087967S-01	4-Nitropyridine N-oxide-d4