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Molecule
2-(2-Fluorophenoxy)-3-Nitropyridine
CAS: 175135-65-6 · C11H7FN2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 175135-65-6
- Molecular Formula
- C11H7FN2O3
- Molecular Mass
- 234.19 g/mol
Identifiers
CAS Registry Number
175135-65-6
SMILES
O=[N+]([O-])c1cccnc1Oc1ccccc1F
InChI Key
BWWQVVFSTXRVGB-UHFFFAOYSA-N
InChI
InChI=1S/C11H7FN2O3/c12-8-4-1-2-6-10(8)17-11-9(14(15)16)5-3-7-13-11/h1-7H
Names and Synonyms
- 2-(2-Fluorophenoxy)-3-Nitropyridine Synonym
- Pyridine, 2-(2-fluorophenoxy)-3-nitro- Synonym
- 2-(2-Fluorophenoxy)-3-nitropyridine Synonym
- 3-Nitro-2-(2-fluorophenoxy)pyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.19 g/mol | CAS Common Chemistry |
| 234.18599999999998 g/mol | RDKit | |
| 234.186 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=CN=C1OC=2C=CC=CC2F | CAS Common Chemistry |
| InChI | InChI=1S/C11H7FN2O3/c12-8-4-1-2-6-10(8)17-11-9(14(15)16)5-3-7-13-11/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=BWWQVVFSTXRVGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Fluorophenoxy)-3-nitropyridine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.26 Ų | RDKit |
| 59.89 Ų | chempirical lib | |
| LogP | 2.9212000000000007 | RDKit |
| 2.9212 | RDKit | |
| Molar Refractivity | 57.365400000000015 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 234.044070304 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
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MW = 234.19 g/mol. Edit any field — others recompute live.
