CAS 1124-33-0|CAS 1074-98-2|4-nitropyridin-1-ium-1-olate|4-Nitropyridine 1-oxide|4-Nitropyridine N-oxide|4-nitropyridin-1-ium-1-olate|4-nitropyridine-1-oxide|4-nitropyridine 1-oxide|4-NITRO-N-OXOPYR...

General Information

Structure

Molecular Formula

C₅H₄N₂O₃

Molecular Mass

140.09686

Exact Mass

140.022192

Charge

InChI

InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

InChIKey

RXKNNAKAVAHBNK-UHFFFAOYSA-N

Canonic Smiles

[O-][n+]1ccc(cc1)[N+](=O)[O-]

Isomeric Smiles

[n+]1(ccc(cc1)[N+](=O)[O-])[O-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.56459993

LogD (pH = 7.4)

-0.56459934

Log P

-0.56459934

Molar Refractivity

33.5339

Polarizability

11.910493

Polar Surface Area

70.08

Rotatable Bonds

Lipinski's Rule of Five

true

Acid pKa

17.571323

Data Source

Names and Identifiers

IUPAC Traditional name

4-nitropyridin-1-ium-1-olate 4-nitropyridine-1-oxide 4-nitro-1$l^{5}-pyridin-1-one

Synonyms

4-Nitropyridine 1-oxide4-Nitropyridine N-oxide4-nitropyridine 1-oxide4-NITRO-N-OXOPYRIDINE4-Nitropyridine-N-oxide4-Nitropyridine Oxidep-Nitropyridine N-OxideNSC 130895NSC 50794-硝基氮氧化吡啶4-Nitropyridine N-oxide4-硝基吡啶-N-氧化物

IUPAC name

4-nitropyridin-1-ium-1-olate 4-nitro-1$l^{5}-pyridin-1-one

Names and Identifiers

Registration numbers

EC Number

CAS Number

MDL Number

Beilstein Number

Wikipedia Title

4-Nitropyridine-N-oxide

Chemspider ID

13662

PubChem CID

14300

PubChem SID

16204176724861424

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02155924

May produce a hazy solution in water.

05210349

MP Biomedicals Rare Chemical collection

Wikipedia

4-Nitropyridine-N-oxide

Sigma Aldrich

346659

Packaging
25, 100 g in poly bottle

TRC

N519920

The N-oxide derivative of a nitrated pyridine that has been shown to inhibit Na,K-ATPase activity. 4-Nitropyridine N-Oxide is a quorum sensing inhibitor.

Molecule Details

References

PubChem Literature

From Data Sources

• Andreev, V.P. et al.: Pharmac. Chem. J., 40, 347 (2006)

• Rasch, M. et al.: J. Appl. Microbiol., 102, 826 (2007):

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

4-nitropyridin-1-ium-1-olate 4-nitropyridine-1-oxide 4-nitro-1$l^{5}-pyridin-1-one

Synonyms

IUPAC name

4-nitropyridin-1-ium-1-olate 4-nitro-1$l^{5}-pyridin-1-one

Registration numbers

EC Number

CAS Number

MDL Number

Beilstein Number

Wikipedia Title

4-Nitropyridine-N-oxide

Chemspider ID

PubChem CID

PubChem SID

Molecule Details

May produce a hazy solution in water.

05210349

MP Biomedicals Rare Chemical collection

Wikipedia

4-Nitropyridine-N-oxide

Sigma Aldrich

346659

Packaging
25, 100 g in poly bottle

TRC

N519920

The N-oxide derivative of a nitrated pyridine that has been shown to inhibit Na,K-ATPase activity. 4-Nitropyridine N-Oxide is a quorum sensing inhibitor.

References

PubChem Literature

From Data Sources

• Andreev, V.P. et al.: Pharmac. Chem. J., 40, 347 (2006)

• Rasch, M. et al.: J. Appl. Microbiol., 102, 826 (2007):

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:76865