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Molecule
6-Methoxy-3-Nitro-2-Pyridinamine
CAS: 73896-36-3 · C6H7N3O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 73896-36-3
- Molecular Formula
- C6H7N3O3
- Molecular Mass
- 169.14 g/mol
Identifiers
CAS Registry Number
73896-36-3
SMILES
COc1ccc([N+](=O)[O-])c(N)n1
InChI Key
RDJILYVRVOTMTQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3,(H2,7,8)
Names and Synonyms
- 6-Methoxy-3-Nitro-2-Pyridinamine Synonym
- 2-Pyridinamine, 6-methoxy-3-nitro- Synonym
- 6-Methoxy-3-nitro-2-pyridinamine Synonym
- 2-Amino-6-methoxy-3-nitropyridine Synonym
- (6-Methoxy-3-nitropyridin-2-yl)amine Synonym
- 2-Amino-3-nitro-6-methoxypyridine Synonym
- 6-Methoxy-3-nitro-2-aminopyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.14 g/mol | CAS Common Chemistry |
| 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 |
| 85.91 Ų | chempirical lib | |
| LogP | 0.5805999999999998 | RDKit |
| 0.5806 | RDKit | |
| Molar Refractivity | 41.85580000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 169.048741084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 169.14 g/mol. Edit any field — others recompute live.
