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3-Chloro-2-Hydrazinylpyridine
CAS: 22841-92-5 | C5H6ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22841-92-5
Molecular Formula:
C5H6ClN3
Molecular Weight:
143.57699999999997 g/mol
Names and Synonyms:
3-Chloro-2-Hydrazinylpyridine
(3-Chloro-2-pyridyl)hydrazine
1-(3-Chloropyridin-2-yl)hydrazine
3-Chloro-2-hydrazylpyridine
[3-Chloro-2-pyridyl]-1-hydrazine
(3-Chloropyridin-2-yl)hydrazine
3-Chloro-2(1H)-pyridinone hydrazone
2-Hydrazino-3-chloropyridine
3-Chloro-2-hydrazinopyridine
3-Chloro-2-hydrazinylpyridine
2(1H)-Pyridinone, 3-chloro-, hydrazone
Pyridine, 3-chloro-2-hydrazino-
Pyridine, 3-chloro-2-hydrazinyl-
Identifiers:
SMILES:
NNc1ncccc1Cl
InChI:
InChI=1S/C5H6ClN3/c6-4-2-1-3-8-5(4)9-7/h1-3H,7H2,(H,8,9)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 143.58 g/mol | Legacy Database |
| cas-canonical-smile | ClC1=CC=CNC1=NN None | Legacy Database |
| cas-inchi | InChI=1S/C5H6ClN3/c6-4-2-1-3-8-5(4)9-7/h1-3H,7H2,(H,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=XAYCTBDPZIKHCW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 163-164 °C None | Legacy Database |
| cas-name | 3-Chloro-2-hydrazinylpyridine None | Legacy Database |
| LogP | 1.0206 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.57699999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.025024872 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 50.94 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.05710000000001 | RDKit |
