Back to Search
6-Methylpicolinic Acid
CAS: 934-60-1 | C7H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
934-60-1
Molecular Formula:
C7H7NO2
Molecular Mass:
137.14 g/mol
Names and Synonyms:
6-Methylpicolinic Acid
2-Pyridinecarboxylic acid, 6-methyl-
Picolinic acid, 6-methyl-
6-Methyl-2-pyridinecarboxylic acid
2-Picoline-6-carboxylic acid
2-Carboxy-6-methylpyridine
6-Methylpicolinic acid
NSC 109143
NSC 26023
6-Methyl-3-picolinic acid
Identifiers:
SMILES:
Cc1cccc(C(=O)O)n1
InChI:
InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10)
Key Properties
Melting Point
95-96 °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 | 137.14 g/mol | CAS Common Chemistry |
| 137.13799999999998 g/mol | RDKit | |
| 137.047678464 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=1N=C(C=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=LTUUGSGSUZRPRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95-96 °C | CAS Common Chemistry |
| Name | 6-Methylpicolinic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 50.19 Ų | RDKit |
| LogP | 1.08822 | RDKit |
| Molar Refractivity | 35.933299999999996 | RDKit |
