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Pyridine, Hydrofluoride (1:1)
CAS: 32001-55-1 | C5H6FN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32001-55-1
Molecular Formula:
C5H6FN
Molecular Weight:
99.10799999999999 g/mol
Names and Synonyms:
Pyridine, Hydrofluoride (1:1)
Hydrofluoric acid pyridine complex
Pyridinium fluoride
Pyridine, compd. with hydrofluoric acid (1:1)
Pyridine, hydrofluoride
Pyridine, hydrofluoride (1:1)
Identifiers:
SMILES:
F.c1ccncc1
InChI:
InChI=1S/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H
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 | 99.11 g/mol | Legacy Database |
| cas-canonical-smile | F.N=1C=CC=CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H None | Legacy Database |
| cas-inchi-key | InChIKey=GRJJQCWNZGRKAU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pyridine, hydrofluoride (1:1) None | Legacy Database |
| LogP | 1.2341 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 99.10799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 99.048427412 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.89 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.739999999999995 | RDKit |
