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Molecule
5-Ethyl-2-Pyridineethanol
CAS: 5223-06-3 · C9H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5223-06-3
- Molecular Formula
- C9H13NO
- Molecular Mass
- 151.21 g/mol
Identifiers
CAS Registry Number
5223-06-3
SMILES
CCc1ccc(CCO)nc1
InChI Key
OUJMXIPHUCDRAS-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3
Names and Synonyms
- 5-Ethyl-2-Pyridineethanol Systematic Name
- 2-Pyridineethanol, 5-ethyl- Synonym
- 5-Ethyl-2-pyridineethanol Synonym
- 5-Ethyl-2-(β-hydroxyethyl)pyridine Synonym
- 2-(5-Ethyl-2-pyridinyl)ethanol Synonym
- 2-(5-Ethyl-2-pyridyl)ethanol Synonym
- 2-(5-Ethylpyridin-2-yl)ethanol Synonym
- 5-Ethyl-2-(2-hydroxyethyl)pyridine Synonym
- 2-(5-Ethylpyridin-2-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.21 g/mol | CAS Common Chemistry |
| 151.20899999999997 g/mol | RDKit | |
| 151.209 g/mol | RDKit | |
| Density | 0.04 g/cm³ | CAS Common Chemistry |
| 0.042 g/cm3 @ 42 °C | CAS Common Chemistry | |
| InChI | InChI=1S/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3 | CAS Common Chemistry |
| Canonical SMILES | OCCC1=NC=C(C=C1)CC | CAS Common Chemistry |
| InChI Key | InChIKey=OUJMXIPHUCDRAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Ethyl-2-pyridineethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 1.1787999999999998 | RDKit |
| 1.1788 | RDKit | |
| Molar Refractivity | 44.40480000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4444 | RDKit |
| 0.44 | chempirical lib | |
| Exact Mass | 151.099714036 g/mol | RDKit |
| Boiling Point | 125 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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Quick conversion
MW = 151.21 g/mol; density = 0.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13NO.
