Back to Search
Molecule
4-Methylpyridine
CAS: 108-89-4 · C6H7N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 108-89-4
- Molecular Formula
- C6H7N
- Molecular Mass
- 93.13 g/mol
Identifiers
CAS Registry Number
108-89-4
SMILES
Cc1ccncc1
InChI Key
FKNQCJSGGFJEIZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
Names and Synonyms
- 4-Methylpyridine Synonym
- Pyridine, 4-methyl- Synonym
- 4-Picoline Synonym
- 4-Methylpyridine Synonym
- γ-Picoline Synonym
- Ba 35846 Synonym
- p-Methylpyridine Synonym
- p-Picoline Synonym
- γ-Methylpyridine Synonym
- NSC 18252 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 93.13 g/mol | CAS Common Chemistry |
| 93.12899999999999 g/mol | RDKit | |
| 93.129 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9548 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Methylpyridine | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC(=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FKNQCJSGGFJEIZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 3.66 °C | CAS Common Chemistry |
| Name | 4-Methylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| 12.36 Ų | chempirical lib | |
| LogP | 1.39002 | RDKit |
| 1.39 | RDKit | |
| Molar Refractivity | 28.973999999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 93.057849224 g/mol | RDKit |
| Boiling Point | 145 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 93.13 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7N.
