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Molecule
5-Fluoro-1H-Indazole
CAS: 348-26-5 · C7H5FN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 348-26-5
- Molecular Formula
- C7H5FN2
- Molecular Mass
- 136.13 g/mol
Identifiers
CAS Registry Number
348-26-5
SMILES
Fc1ccc2[nH]ncc2c1
InChI Key
LIWIWTHSKJBYDW-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
Names and Synonyms
- 5-Fluoro-1H-Indazole Synonym
- 1H-Indazole, 5-fluoro- Synonym
- 5-Fluoro-1H-indazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.13 g/mol | CAS Common Chemistry |
| 136.12900000000002 g/mol | RDKit | |
| 136.129 g/mol | RDKit | |
| 137.137 g/mol | chempirical lib | |
| Canonical SMILES | FC=1C=CC=2NN=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H5FN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=LIWIWTHSKJBYDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 121 °C (decomp) | CAS Common Chemistry |
| Name | 5-Fluoro-1H-indazole | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 28.68 Ų | RDKit |
| LogP | 1.7019999999999997 | RDKit |
| 1.702 | RDKit | |
| Molar Refractivity | 36.051700000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 136.04367638 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 136.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H5FN2.
