Back to Search
Molecule
5-Chloro-6-Fluoro-3-Pyridinol
CAS: 209328-72-3 · C5H3ClFNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 209328-72-3
- Molecular Formula
- C5H3ClFNO
- Molecular Mass
- 147.54 g/mol
Identifiers
CAS Registry Number
209328-72-3
SMILES
Oc1cnc(F)c(Cl)c1
InChI Key
IETLNKVWDZYCPN-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClFNO/c6-4-1-3(9)2-8-5(4)7/h1-2,9H
Names and Synonyms
- 5-Chloro-6-Fluoro-3-Pyridinol Synonym
- 3-Pyridinol, 5-chloro-6-fluoro- Synonym
- 5-Chloro-6-fluoro-3-pyridinol Synonym
- 3-Chloro-2-fluoro-5-hydroxypyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.54 g/mol | CAS Common Chemistry |
| 147.536 g/mol | RDKit | |
| 147.533 g/mol | chempirical lib | |
| Canonical SMILES | FC1=NC=C(O)C=C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C5H3ClFNO/c6-4-1-3(9)2-8-5(4)7/h1-2,9H | CAS Common Chemistry |
| InChI Key | InChIKey=IETLNKVWDZYCPN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Chloro-6-fluoro-3-pyridinol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 1.5796999999999997 | RDKit |
| 1.5797 | RDKit | |
| Molar Refractivity | 30.8698 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 146.988719616 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 147.54 g/mol. Edit any field — others recompute live.
