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6-Fluoro-2-Methyl-4-Quinolinol
CAS: 15912-68-2 | C10H8FNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15912-68-2
Molecular Formula:
C10H8FNO
Molecular Mass:
177.18 g/mol
Names and Synonyms:
6-Fluoro-2-Methyl-4-Quinolinol
4-Quinolinol, 6-fluoro-2-methyl-
6-Fluoro-2-methyl-4-quinolinol
6-Fluoro-4-hydroxy-2-methylquinoline
Identifiers:
SMILES:
Cc1cc(=O)c2cc(F)ccc2[nH]1
InChI:
InChI=1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)
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 | 177.18 g/mol | CAS Common Chemistry |
| 177.17800000000003 g/mol | RDKit | |
| 177.058992096 g/mol | RDKit | |
| Canonical SMILES | FC=1C=CC=2N=C(C=C(O)C2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=BKXCHVFCJZJATJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Fluoro-2-methyl-4-quinolinol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.86 Ų | RDKit |
| LogP | 1.97562 | RDKit |
| Molar Refractivity | 49.263700000000014 | RDKit |
