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Molecule
5-Chloro-2,3-Difluoropyridine
CAS: 89402-43-7 · C5H2ClF2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 89402-43-7
- Molecular Formula
- C5H2ClF2N
- Molecular Mass
- 149.53 g/mol
Identifiers
CAS Registry Number
89402-43-7
SMILES
Fc1cc(Cl)cnc1F
InChI Key
PERMDYZFNQIKBL-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClF2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
Names and Synonyms
- 5-Chloro-2,3-Difluoropyridine Synonym
- Pyridine, 5-chloro-2,3-difluoro- Synonym
- 5-Chloro-2,3-difluoropyridine Synonym
- 2,3-Difluoro-5-chloropyridine Synonym
- 3-Chloro-5,6-difluoropyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.53 g/mol | CAS Common Chemistry |
| 149.527 g/mol | RDKit | |
| 149.524 g/mol | chempirical lib | |
| Canonical SMILES | FC1=NC=C(Cl)C=C1F | CAS Common Chemistry |
| InChI | InChI=1S/C5H2ClF2N/c6-3-1-4(7)5(8)9-2-3/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=PERMDYZFNQIKBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Chloro-2,3-difluoropyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 |
| 12.36 Ų | chempirical lib | |
| LogP | 2.0132 | RDKit |
| Molar Refractivity | 29.162999999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 148.984383184 g/mol | RDKit |
| Boiling Point | 70-73 °C @ 85 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 149.53 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H2ClF2N.
