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2-Pyridineethanol
CAS: 103-74-2 | C7H9NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
103-74-2
Molecular Formula:
C7H9NO
Molecular Mass:
123.15 g/mol
Names and Synonyms:
2-Pyridineethanol
2-Pyridineethanol
2-(2-Hydroxyethyl)pyridine
2-Pyridylethanol
2-(2-Pyridyl)ethanol
2-(β-Hydroxyethyl)pyridine
2-(α-Pyridyl)ethanol
β-(2-Pyridyl)ethanol
2-(2-Pyridyl)ethyl alcohol
2-(2-Pyridinyl)ethanol
NSC 2144
NSC 77979
2-(2-Hydroxylethyl)pyridine
2-(Pyridin-2-yl)ethan-1-ol
Identifiers:
SMILES:
OCCc1ccccn1
InChI:
InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
Key Properties
Boiling Point
170 °C @ Press: 100 Torr
CAS Common Chemistry
Melting Point
-7.8 °C
CAS Common Chemistry
Density
1.09 g/cm³
CAS Common Chemistry
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 | 123.15 g/mol | CAS Common Chemistry |
| 123.15499999999997 g/mol | RDKit | |
| 123.068413908 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.091 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 170 °C @ Press: 100 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCC1=NC=CC=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BXGYBSJAZFGIPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -7.8 °C | CAS Common Chemistry |
| Name | 2-Pyridineethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| LogP | 0.6164 | RDKit |
| Molar Refractivity | 35.0268 | RDKit |
