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2-(2-Fluorophenoxy)-3-Pyridinamine
CAS: 175135-66-7 | C11H9FN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
175135-66-7
Molecular Formula:
C11H9FN2O
Molecular Mass:
204.20 g/mol
Names and Synonyms:
2-(2-Fluorophenoxy)-3-Pyridinamine
3-Pyridinamine, 2-(2-fluorophenoxy)-
2-(2-Fluorophenoxy)-3-pyridinamine
3-Amino-2-(2-fluorophenoxy)pyridine
2-(2-Fluorophenoxy)pyridin-3-amine
Identifiers:
SMILES:
Nc1cccnc1Oc1ccccc1F
InChI:
InChI=1S/C11H9FN2O/c12-8-4-1-2-6-10(8)15-11-9(13)5-3-7-14-11/h1-7H,13H2
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 | 204.20 g/mol | CAS Common Chemistry |
| 204.204 g/mol | RDKit | |
| 204.069891128 g/mol | RDKit | |
| Canonical SMILES | FC=1C=CC=CC1OC2=NC=CC=C2N | CAS Common Chemistry |
| InChI | InChI=1S/C11H9FN2O/c12-8-4-1-2-6-10(8)15-11-9(13)5-3-7-14-11/h1-7H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IGBWSEKNQXELDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Fluorophenoxy)-3-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.14 Ų | RDKit |
| LogP | 2.595200000000001 | RDKit |
| Molar Refractivity | 55.12340000000001 | RDKit |
