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Molecule
5-Chloro-3-Pyridinamine
CAS: 22353-34-0 · C5H5ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22353-34-0
- Molecular Formula
- C5H5ClN2
- Molecular Mass
- 128.56 g/mol
Identifiers
CAS Registry Number
22353-34-0
SMILES
Nc1cncc(Cl)c1
InChI Key
ZHMASVAJFJFFLS-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
Names and Synonyms
- 5-Chloro-3-Pyridinamine Systematic Name
- 3-Pyridinamine, 5-chloro- Synonym
- Pyridine, 3-amino-5-chloro- Synonym
- 5-Chloro-3-pyridinamine Synonym
- 3-Amino-5-chloropyridine Synonym
- (5-Chloropyridin-3-yl)amine Synonym
- 3-Chloro-5-aminopyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.56 g/mol | CAS Common Chemistry |
| 128.56199999999998 g/mol | RDKit | |
| 128.562 g/mol | RDKit | |
| 128.559 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CN=CC(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5ClN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZHMASVAJFJFFLS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82 °C @ Solvent: Benzene, Ligroine | CAS Common Chemistry |
| Name | 5-Chloro-3-pyridinamine | 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 | 1.3172000000000001 | RDKit |
| 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
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 128.56 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H5ClN2.
