Back to Search
3-Methoxypyridine
CAS: 7295-76-3 | C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7295-76-3
Molecular Formula:
C6H7NO
Molecular Mass:
109.13 g/mol
Names and Synonyms:
3-Methoxypyridine
Pyridine, 3-methoxy-
3-Methoxypyridine
β-Methoxypyridine
Identifiers:
SMILES:
COc1cccnc1
InChI:
InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
Key Properties
Boiling Point
179 °C
CAS Common Chemistry
Melting Point
203 °C
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 | 109.13 g/mol | CAS Common Chemistry |
| 109.12799999999999 g/mol | RDKit | |
| 109.052763844 g/mol | RDKit | |
| Boiling Point | 179 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=C(OC)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UMJSCPRVCHMLSP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 203 °C | CAS Common Chemistry |
| Name | 3-Methoxypyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 22.12 Ų | RDKit |
| LogP | 1.0901999999999998 | RDKit |
| Molar Refractivity | 30.78899999999999 | RDKit |
