Back to Search
Molecule
2-Amino-3,5-Dichloropyridine
CAS: 4214-74-8 · C5H4Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4214-74-8
- Molecular Formula
- C5H4Cl2N2
- Molecular Mass
- 163.01 g/mol
Identifiers
CAS Registry Number
4214-74-8
SMILES
Nc1ncc(Cl)cc1Cl
InChI Key
OCWBGKZFOYMCCN-UHFFFAOYSA-N
InChI
InChI=1S/C5H4Cl2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
Names and Synonyms
- 2-Amino-3,5-Dichloropyridine Systematic Name
- 2-Pyridinamine, 3,5-dichloro- Synonym
- Pyridine, 2-amino-3,5-dichloro- Synonym
- 3,5-Dichloro-2-pyridinamine Synonym
- 3,5-Dichloro-2-aminopyridine Synonym
- 2-Amino-3,5-dichloropyridine Synonym
- NSC 51586 Synonym
- 3,5-Dichloropyridin-2-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.01 g/mol | CAS Common Chemistry |
| 163.007 g/mol | RDKit | |
| 163.001 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CN=C(N)C(Cl)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H4Cl2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=OCWBGKZFOYMCCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85-86 °C | CAS Common Chemistry |
| Name | 2-Amino-3,5-dichloropyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.9706 | RDKit |
| Molar Refractivity | 38.6694 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 161.975153488 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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
Convert
Quick conversion
MW = 163.01 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H4Cl2N2.
