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Molecule
5-Amino-2-Chloropyridine
CAS: 5350-93-6 · C5H5ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5350-93-6
- Molecular Formula
- C5H5ClN2
- Molecular Mass
- 128.56 g/mol
Identifiers
CAS Registry Number
5350-93-6
SMILES
Nc1ccc(Cl)nc1
InChI Key
QAJYCQZQLVENRZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
Names and Synonyms
- 5-Amino-2-Chloropyridine Synonym
- 3-Pyridinamine, 6-chloro- Synonym
- Pyridine, 5-amino-2-chloro- Synonym
- 6-Chloro-3-pyridinamine Synonym
- 2-Chloro-5-aminopyridine Synonym
- 5-Amino-2-chloropyridine Synonym
- 6-Chloropyridin-3-ylamine Synonym
- 6-Chloro-3-aminopyridine Synonym
- NSC 81 Synonym
- 2-Chloropyridin-5-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.56 g/mol | CAS Common Chemistry |
| 128.562 g/mol | RDKit | |
| 128.559 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=NC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QAJYCQZQLVENRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82-83.5 °C | CAS Common Chemistry |
| Name | 5-Amino-2-chloropyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 1.3172 | RDKit |
| Molar Refractivity | 33.659400000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 128.01412584 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
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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MW = 128.56 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H5ClN2.
