Back to Search
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
Names and Synonyms:
2-Amino-3,5-Dichloropyridine
2-Pyridinamine, 3,5-dichloro-
Pyridine, 2-amino-3,5-dichloro-
3,5-Dichloro-2-pyridinamine
3,5-Dichloro-2-aminopyridine
2-Amino-3,5-dichloropyridine
NSC 51586
3,5-Dichloropyridin-2-ylamine
Identifiers:
SMILES:
Nc1ncc(Cl)cc1Cl
InChI:
InChI=1S/C5H4Cl2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
Key Properties
Melting Point
85-86 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.01 g/mol | CAS Common Chemistry |
| 163.007 g/mol | RDKit | |
| 161.975153488 g/mol | RDKit | |
| 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 |
| LogP | 1.9706 | RDKit |
| Molar Refractivity | 38.6694 | RDKit |
