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2-(Methoxymethyl)Pyridine
CAS: 23579-92-2 | C7H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23579-92-2
Molecular Formula:
C7H9NO
Molecular Mass:
123.16 g/mol
Names and Synonyms:
2-(Methoxymethyl)Pyridine
Pyridine, 2-(methoxymethyl)-
2-(Methoxymethyl)pyridine
NSC 75841
Identifiers:
SMILES:
COCc1ccccn1
InChI:
InChI=1S/C7H9NO/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3
Key Properties
Boiling Point
241-250 °C @ Press: 10 Torr
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 | 123.16 g/mol | CAS Common Chemistry |
| 123.15499999999997 g/mol | RDKit | |
| 123.068413908 g/mol | RDKit | |
| Boiling Point | 241-250 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1COC | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QDTSINVSGKAPBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Methoxymethyl)pyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 22.12 Ų | RDKit |
| LogP | 1.228 | RDKit |
| Molar Refractivity | 34.95 | RDKit |
