Back to Search
6-Methoxy-3-Nitro-2-Pyridinamine
CAS: 73896-36-3 | C6H7N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
73896-36-3
Molecular Formula:
C6H7N3O3
Molecular Mass:
169.14 g/mol
Names and Synonyms:
6-Methoxy-3-Nitro-2-Pyridinamine
2-Pyridinamine, 6-methoxy-3-nitro-
6-Methoxy-3-nitro-2-pyridinamine
2-Amino-6-methoxy-3-nitropyridine
(6-Methoxy-3-nitropyridin-2-yl)amine
2-Amino-3-nitro-6-methoxypyridine
6-Methoxy-3-nitro-2-aminopyridine
Identifiers:
SMILES:
COc1ccc([N+](=O)[O-])c(N)n1
InChI:
InChI=1S/C6H7N3O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3,(H2,7,8)
Key Properties
Melting Point
169-171 °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 | 169.14 g/mol | CAS Common Chemistry |
| 169.048741084 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(N=C1N)OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N3O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=RDJILYVRVOTMTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169-171 °C | CAS Common Chemistry |
| Name | 6-Methoxy-3-nitro-2-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 91.28 Ų | RDKit |
| LogP | 0.5805999999999998 | RDKit |
| Molar Refractivity | 41.85580000000001 | RDKit |
