3-Methoxy-4-nitropyridine 1-oxide

CAT: 0127-OR1053941-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1053941-01Size:250 mg

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CAS Number

19355-04-5

MDL Number

MFCD16556279

Purity

95%

Smiles

O=[N+](C1=CC=[N+]([O-])C=C1OC)[O-]

Chemical Information

3-Methoxy-4-nitro-1-oxo-1lambda~5~-pyridine

CAS Number	19355-04-5
PubChem CID	14762710
IUPAC Name	3-methoxy-4-nitro-1-oxidopyridin-1-ium
Molecular Formula	C6H6N2O4
Molecular Weight	170.12
XLogP	-0.3
Topological Polar Surface Area	80.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

COC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O4/c1-12-6-4-7(9)3-2-5(6)8(10)11/h2-4H,1H3

InChIKey

YTTSNODVMTUELN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19355-04-5

CID: 14762710

Formula: C6H6N2O4

MW: 170.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.12
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	170.03275668
Monoisotopic Mass	170.03275668
Topological Polar Surface Area	80.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
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
OR9526-01	4-Methoxy-3-nitropyridine
OR1075121-01	3,5-Dimethyl-4-nitropyridine 1-oxide
OR350247	4-Methoxy-3-nitropyridine Hydrochloride
OR13621-01	4-Nitropyridine N-oxide
OR0074	3-Methyl-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
OR302153-01	2-Bromo-4-nitropyridine 1-oxide

Catalog	Name
FC139827-01	3-Chloro-4-nitropyridine 1-oxide
abx183357-01	3-Bromo-4-nitropyridine 1-oxide
FD45455-01	3,5-Dimethyl-4-nitropyridine 1-oxide
TRC-N519920-10G	4-Nitropyridine N-Oxide
285051-01	4-Nitropyridine-N-oxide
424353-01	3-Bromo-4-nitropyridine N-Oxide
sc-491684	3-Fluoro-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