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6-Fluoro-3-Pyridinamine
CAS: 1827-27-6 | C5H5FN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1827-27-6
Molecular Formula:
C5H5FN2
Molecular Weight:
112.10700000000001 g/mol
Names and Synonyms:
6-Fluoro-3-Pyridinamine
3-Pyridinamine, 6-fluoro-
Pyridine, 5-amino-2-fluoro-
6-Fluoro-3-pyridinamine
5-Amino-2-fluoropyridine
3-Amino-6-fluoropyridine
6-Fluoropyridin-3-ylamine
2-Fluoro-5-aminopyridine
6-Fluoropyridin-3-amine
Identifiers:
SMILES:
Nc1ccc(F)nc1
InChI:
InChI=1S/C5H5FN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 112.10700000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 112.04367638 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 38.91 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.8029000000000001 | RDKit |
| molecular_mass | 112.11 g/mol | Legacy Database |
| cas-canonical-smile | FC1=NC=C(N)C=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H5FN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=YTHMOBMZVVFNBE-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 6-Fluoro-3-pyridinamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.607400000000002 | RDKit |
