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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 Mass
- 99.11 g/mol
Identifiers
CAS Registry Number
32001-55-1
SMILES
F.c1ccncc1
InChI Key
GRJJQCWNZGRKAU-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H
Names and Synonyms
- Pyridine, Hydrofluoride (1:1) Systematic Name
- Pyridine, hydrofluoride (1:1) Synonym
- Pyridine, hydrofluoride Synonym
- Pyridine, compd. with hydrofluoric acid (1:1) Synonym
- Pyridinium fluoride Synonym
- Hydrofluoric acid pyridine complex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.11 g/mol | CAS Common Chemistry |
| 99.10799999999999 g/mol | RDKit | |
| 99.108 g/mol | RDKit | |
| Canonical SMILES | F.N=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5N.FH/c1-2-4-6-5-3-1;/h1-5H;1H | CAS Common Chemistry |
| InChI Key | InChIKey=GRJJQCWNZGRKAU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pyridine, hydrofluoride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 1.2341 | RDKit |
| Molar Refractivity | 26.739999999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 99.048427412 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Related
Related molecules
Other compounds with formula C5H6FN.
