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Molecule
2-Methylimidazo[1,2-A]Pyridine
CAS: 934-37-2 · C8H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 934-37-2
- Molecular Formula
- C8H8N2
- Molecular Mass
- 132.17 g/mol
Identifiers
CAS Registry Number
934-37-2
SMILES
Cc1cn2ccccc2n1
InChI Key
BZACBBRLMWHCNM-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2/c1-7-6-10-5-3-2-4-8(10)9-7/h2-6H,1H3
Names and Synonyms
- 2-Methylimidazo[1,2-A]Pyridine Synonym
- Imidazo[1,2-a]pyridine, 2-methyl- Synonym
- 2-Methylimidazo[1,2-a]pyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.17 g/mol | CAS Common Chemistry |
| 132.16599999999997 g/mol | RDKit | |
| 132.166 g/mol | RDKit | |
| 133.174 g/mol | chempirical lib | |
| Canonical SMILES | N1=C2C=CC=CN2C=C1C | CAS Common Chemistry |
| InChI | InChI=1S/C8H8N2/c1-7-6-10-5-3-2-4-8(10)9-7/h2-6H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BZACBBRLMWHCNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45-46 °C @ Solvent: Diethyl ether | CAS Common Chemistry |
| Name | 2-Methylimidazo[1,2-a]pyridine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| 1 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.3 Ų | RDKit |
| LogP | 1.64272 | RDKit |
| 1.6427 | RDKit | |
| Molar Refractivity | 39.92900000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 132.068748256 g/mol | RDKit |
| Boiling Point | 134-136 °C @ 15 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
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MW = 132.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H8N2.
