- InChI
- InChI=1S/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H3
- InChI Key
- SSOURMYKACOBIV-UHFFFAOYSA-N
- Formula
- C6H6N2O3
- SMILES
- Cc1c[n+]([O-])ccc1[N+](=O)[O-]
- Molecular Weight1
- 154.12
- CAS
- 1074-98-2
- Other Names
-
- Pyridine, 3-methyl-4-nitro-, 1-oxide
- 3-Methyl-4-nitropyridine 1-oxide
- 3-Picoline, 4-nitro-, 1-oxide
- 4-Nitro-«beta»-picoline N-oxide
- 4-Nitro-3-methylpyridine N-oxide
- 4-Nitro-3-picoline 1-oxide
- 5-Methyl-4-nitropyridine N-oxide
- 3-Methyl-4-nitropyridine N-oxide
- NSC 168202
- NSC 74203
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔsubH° | 106.70 ± 2.00 | kJ/mol | NIST |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 0.537 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nitro-3-picoline-N-oxide.
Sources
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