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6-Methyl-5-Nitro-2-Pyridinamine
CAS: 22280-62-2 | C6H7N3O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
22280-62-2
Molecular Formula:
C6H7N3O2
Molecular Mass:
153.14 g/mol
Names and Synonyms:
6-Methyl-5-Nitro-2-Pyridinamine
2-Pyridinamine, 6-methyl-5-nitro-
2-Picoline, 6-amino-3-nitro-
6-Methyl-5-nitro-2-pyridinamine
2-Amino-5-nitro-6-methylpyridine
2-Amino-6-methyl-5-nitropyridine
6-Amino-3-nitro-2-picoline
3-Nitro-6-amino-2-picoline
NSC 63855
6-Methyl-5-nitropyridin-2-ylamine
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)
Key Properties
Melting Point
188 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.14 g/mol | CAS Common Chemistry |
| 153.141 g/mol | RDKit | |
| 153.053826464 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(N=C1C)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N3O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=BGMZTBKXOFFTBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188 °C | CAS Common Chemistry |
| Name | 6-Methyl-5-nitro-2-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 82.78 Ų | RDKit |
| LogP | 0.7107899999999999 | RDKit |
| Molar Refractivity | 38.03880000000001 | RDKit |
