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Molecule
2-Methoxy-3-Pyridinamine
CAS: 20265-38-7 · C6H8N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20265-38-7
- Molecular Formula
- C6H8N2O
- Molecular Mass
- 124.14 g/mol
Identifiers
CAS Registry Number
20265-38-7
SMILES
COc1ncccc1N
InChI Key
YXFAOWYMDGUFIQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3
Names and Synonyms
- 2-Methoxy-3-Pyridinamine Synonym
- 3-Pyridinamine, 2-methoxy- Synonym
- Pyridine, 3-amino-2-methoxy- Synonym
- 2-Methoxy-3-pyridinamine Synonym
- 3-Amino-2-methoxypyridine Synonym
- 2-Methoxy-3-aminopyridine Synonym
- (2-Methoxypyridin-3-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.14 g/mol | CAS Common Chemistry |
| 124.14299999999999 g/mol | RDKit | |
| 124.143 g/mol | RDKit | |
| Boiling Point | 116-118 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=C(N)C1OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2O/c1-9-6-5(7)3-2-4-8-6/h2-4H,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YXFAOWYMDGUFIQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69 °C | CAS Common Chemistry |
| Name | 2-Methoxy-3-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 48.14 Ų | RDKit |
| 47.61 Ų | chempirical lib | |
| LogP | 0.6724 | RDKit |
| Molar Refractivity | 35.2014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 124.063662876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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40
20
0 ppm
| 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.
External Resources
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MW = 124.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2O.
