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2-Fluoro-3-Pyridinemethanol
CAS: 131747-55-2 | C6H6FNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
131747-55-2
Molecular Formula:
C6H6FNO
Molecular Mass:
127.12 g/mol
Names and Synonyms:
2-Fluoro-3-Pyridinemethanol
3-Pyridinemethanol, 2-fluoro-
2-Fluoro-3-pyridinemethanol
(2-Fluoropyridin-3-yl)methanol
(2-Fluoro-3-pyridyl)methanol
2-Fluoro-3-(hydroxymethyl)pyridine
Identifiers:
SMILES:
OCc1cccnc1F
InChI:
InChI=1S/C6H6FNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
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 | 127.12 g/mol | CAS Common Chemistry |
| 127.118 g/mol | RDKit | |
| 127.043342032 g/mol | RDKit | |
| Canonical SMILES | FC1=NC=CC=C1CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H6FNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CMAIZPVYDZEAJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Fluoro-3-pyridinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| LogP | 0.713 | RDKit |
| Molar Refractivity | 30.117799999999995 | RDKit |
