| Weight | 138.126 g/mol |
|---|---|
| Formula | C6H6N2O2 |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 1 |
2-Methyl-3-nitropyridine (18699-87-1)
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- Electrostatic modeling of the linear optical susceptibilities of 2-methyl-4-nitroaniline, m-nitroaniline, 3-methyl-4-nitropyridine N-oxide and 2-carboxylic acid-4-nitropyridine-1-oxide crystals (Chemical Physics Letters, 2010)
- Conformational stability, vibrational spectral studies, HOMOLUMO and NBO analyses of 2-hydroxy-4-methyl-3-nitropyridine and 2-hydroxy-4-methyl-5-nitropyridine based on density functional theory (Journal of Molecular Structure, 2012)
- Calculating the second-order nonlinear optical susceptibilities of 3-methyl-4-nitropyridine N-oxide, 2-carboxylic acid-4-nitropyridine-1-oxide, 2-methyl-4-nitroaniline, and m-nitroaniline crystals (International Journal of Quantum Chemistry, 2011)
- Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of 3-hydroxy-6-methyl-2-nitropyridine (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012)
- Computational studies on the structure and vibrational spectra of 2-hydroxy-5-methyl-3-nitropyridine (Indian Journal of Pure & Applied Physics, 2009)
- Excited electronic states of 2-ethylamino-(3 or 5)-methyl-4-nitropyridine and 2-methylamino-(3 or 5)-methyl-4-nitropyridine (Journal of Molecular Structure, 2004)
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. -
SMILESCC1=C(C=CC=N1)[N+](=O)[O-]
-
InChIKeyCCFGTKQIRWHYTB-UHFFFAOYSA-N
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