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Molecule
2-Aminopyridine
CAS: 504-29-0 · C5H6N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 504-29-0
- Molecular Formula
- C5H6N2
- Molecular Mass
- 94.12 g/mol
Identifiers
CAS Registry Number
504-29-0
SMILES
Nc1ccccn1
InChI Key
ICSNLGPSRYBMBD-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
Names and Synonyms
- 2-Aminopyridine Synonym
- 2-Pyridinamine Synonym
- Pyridine, 2-amino- Synonym
- o-Aminopyridine Synonym
- α-Aminopyridine Synonym
- 2-Aminopyridine Synonym
- 1,2-Dihydro-2-iminopyridine Synonym
- 2-Pyridylamine Synonym
- α-Pyridinamine Synonym
- α-Pyridylamine Synonym
- 2-Pyridinylamine Synonym
- NSC 431 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 94.12 g/mol | CAS Common Chemistry |
| 94.117 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.065 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Aminopyridine | CAS Common Chemistry |
| Boiling Point | 210.6 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=ICSNLGPSRYBMBD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58.1 °C | CAS Common Chemistry |
| Name | 2-Aminopyridine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| 38.38 Ų | chempirical lib | |
| LogP | 0.6638000000000001 | RDKit |
| 0.6638 | RDKit | |
| Molar Refractivity | 28.6494 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 94.053098192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 94.12 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H6N2.
