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6-Methyl-2-Pyridinecarboxaldehyde
CAS: 1122-72-1 | C7H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1122-72-1
Molecular Formula:
C7H7NO
Molecular Mass:
121.14 g/mol
Names and Synonyms:
6-Methyl-2-Pyridinecarboxaldehyde
2-Pyridinecarboxaldehyde, 6-methyl-
Picolinaldehyde, 6-methyl-
6-Methyl-2-pyridinecarboxaldehyde
6-Methyl-2-picolinaldehyde
6-Methylpicolinaldehyde
2-Methyl-6-pyridinecarboxaldehyde
6-Methylpyridine-2-aldehyde
2-Formyl-6-methylpyridine
6-Methyl-2-pyridinecarbaldehyde
NSC 8954
6-Methylpyridine-2-carboxaldehyde
6-Methyl-2-formylpyridine
Identifiers:
SMILES:
Cc1cccc(C=O)n1
InChI:
InChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3
Key Properties
Boiling Point
77-78 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
30 °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 | 121.14 g/mol | CAS Common Chemistry |
| 121.139 g/mol | RDKit | |
| 121.052763844 g/mol | RDKit | |
| Boiling Point | 77-78 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC=1N=C(C=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AHISYUZBWDSPQL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 30 °C | CAS Common Chemistry |
| Name | 6-Methyl-2-pyridinecarboxaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.96 Ų | RDKit |
| LogP | 1.20252 | RDKit |
| Molar Refractivity | 34.3615 | RDKit |
