Back to Search
6-Methyl-5-Nitro-2-Pyridinamine
CAS: 22280-62-2 | C6H7N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22280-62-2
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.141 g/mol
Names and Synonyms:
6-Methyl-5-Nitro-2-Pyridinamine
6-Methyl-5-nitropyridin-2-ylamine
NSC 63855
3-Nitro-6-amino-2-picoline
6-Amino-3-nitro-2-picoline
2-Amino-6-methyl-5-nitropyridine
2-Amino-5-nitro-6-methylpyridine
6-Methyl-5-nitro-2-pyridinamine
2-Picoline, 6-amino-3-nitro-
2-Pyridinamine, 6-methyl-5-nitro-
Identifiers:
SMILES:
Cc1[nH]c(=N)ccc1[N+](=O)[O-]
InChI:
InChI=1S/C6H7N3O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3,(H2,7,8)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.14 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC=C(N=C1C)N | Legacy Database | |
| cas-inchi | InChI=1S/C6H7N3O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3,(H2,7,8) | Legacy Database | |
| LogP | 0.7107899999999999 | RDKit | |
| cas-inchi-key | InChIKey=BGMZTBKXOFFTBJ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 188 °C | Legacy Database | |
| cas-name | 6-Methyl-5-nitro-2-pyridinamine | Legacy Database | |
| Molecular | Molecular Weight | 153.141 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.053826464 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 82.78 Ų | RDKit |
| Molar | Molar Refractivity | 38.03880000000001 | RDKit |
