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5-Chloro-2-Fluoropyridine
CAS: 1480-65-5 | C5H3ClFN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1480-65-5
Molecular Formula:
C5H3ClFN
Molecular Mass:
131.54 g/mol
Names and Synonyms:
5-Chloro-2-Fluoropyridine
Pyridine, 5-chloro-2-fluoro-
5-Chloro-2-fluoropyridine
NSC 403604
2-Fluoro-5-chloropyridine
Identifiers:
SMILES:
Fc1ccc(Cl)cn1
InChI:
InChI=1S/C5H3ClFN/c6-4-1-2-5(7)8-3-4/h1-3H
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 | 131.54 g/mol | CAS Common Chemistry |
| 131.537 g/mol | RDKit | |
| 130.993804996 g/mol | RDKit | |
| Canonical SMILES | FC1=NC=C(Cl)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H3ClFN/c6-4-1-2-5(7)8-3-4/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=ZULRQGBHWBQPFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Chloro-2-fluoropyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 1.8740999999999999 | RDKit |
| Molar Refractivity | 29.204999999999995 | RDKit |
