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2,3-Difluoropyridine
CAS: 1513-66-2 | C5H3F2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1513-66-2
Molecular Formula:
C5H3F2N
Molecular Mass:
115.08 g/mol
Names and Synonyms:
2,3-Difluoropyridine
Pyridine, 2,3-difluoro-
2,3-Difluoropyridine
Identifiers:
SMILES:
Fc1cccnc1F
InChI:
InChI=1S/C5H3F2N/c6-4-2-1-3-8-5(4)7/h1-3H
Key Properties
Boiling Point
118 °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 | 115.08 g/mol | CAS Common Chemistry |
| 115.08200000000001 g/mol | RDKit | |
| 115.023355536 g/mol | RDKit | |
| Boiling Point | 118 °C | CAS Common Chemistry |
| Canonical SMILES | FC1=NC=CC=C1F | CAS Common Chemistry |
| InChI | InChI=1S/C5H3F2N/c6-4-2-1-3-8-5(4)7/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=OGVLEPMNNPZAPS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3-Difluoropyridine | 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 | 1.3598 | RDKit |
| Molar Refractivity | 24.152999999999995 | RDKit |
