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Home > Nitro Compounds > 137280-55-8
137280-55-8 | 2(3H)-Pyridinone, 3-nitro-
CAS No: 137280-55-8 Catalog No: AG00131T MDL No:
Product Description
Catalog Number:
AG00131T
Chemical Name:
2(3H)-Pyridinone, 3-nitro-
CAS Number:
137280-55-8
Molecular Formula:
C5H4N2O3
Molecular Weight:
140.0969
IUPAC Name:
3-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)
InChI Key:
BOAFCICMVMFLIT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1C=CC=NC1=O
EC Number:
228-709-2
NSC Number:
26281
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.098g/mol
Monoisotopic Mass:
140.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| tert-Butyl 2-(3-acetyl-amino-2-oxo-1,2-dihydro-1-pyrid-yl)acetate. | Acta crystallographica. Section E, Structure reports online 20081201 |
| Ab initio Hartree-Fock and density functional theory study on molecular structures, energies, and vibrational frequencies of conformations of 2-hydroxy-3-nitropyridine and 3-hydroxy-2-nitropyridine. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080801 |
| Dynamics of intramolecular hydrogen-atom migrations in 2-hydroxy-3-nitropyridine studied by low-temperature matrix-isolation infrared spectroscopy and density functional theory calculation. | The journal of physical chemistry. A 20070719 |
| A direct continuous spectrophotometric assay for glycosidases with 3-nitro-2-pyridyl glycosides by tautomerization of 2-hydroxy-3-nitropyridine. | Analytical biochemistry 20020315 |
| [Formations and reactions of aromatic furazan compounds]. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20010601 |
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