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2-Amino-5-Chloropyridine
CAS: 1072-98-6 | C5H5ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1072-98-6
Molecular Formula:
C5H5ClN2
Molecular Weight:
128.562 g/mol
Names and Synonyms:
2-Amino-5-Chloropyridine
(5-Chloropyridin-2-yl)amine
NSC 26283
5-Chloro-2-pyridineamine
RP 26695
5-Chloro-α-aminopyridine
5-Chloro-2-aminopyridine
2-Amino-5-chloropyridine
5-Chloro-2-pyridinamine
Pyridine, 2-amino-5-chloro-
2-Pyridinamine, 5-chloro-
Identifiers:
SMILES:
N=c1ccc(Cl)c[nH]1
InChI:
InChI=1S/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 128.562 g/mol | RDKit |
| Exact | Exact Molecular Weight | 128.01412584 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 39.64 Ų | RDKit |
| Physical Properties | LogP | 1.14757 | RDKit |
| molecular_mass | 128.56 g/mol | Legacy Database | |
| cas-canonical-smile | ClC1=CN=C(N)C=C1 | Legacy Database | |
| cas-inchi | InChI=1S/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8) | Legacy Database | |
| cas-inchi-key | InChIKey=MAXBVGJEFDMHNV-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 137 °C | Legacy Database | |
| cas-name | 2-Amino-5-chloropyridine | Legacy Database | |
| Molar | Molar Refractivity | 31.6574 | RDKit |
