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Molecule
Imidazo[1,5-A]Pyridine
CAS: 274-47-5 · C7H6N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 274-47-5
- Molecular Formula
- C7H6N2
- Molecular Mass
- 118.14 g/mol
Identifiers
CAS Registry Number
274-47-5
SMILES
c1ccn2cncc2c1
InChI Key
JMANUKZDKDKBJP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-2-4-9-6-8-5-7(9)3-1/h1-6H
Names and Synonyms
- Imidazo[1,5-A]Pyridine Systematic Name
- Imidazo[1,5-a]pyridine Synonym
- 2-Azaindolizine Synonym
- 2,3a-Diazaindene Synonym
- NSC 119858 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.14 g/mol | CAS Common Chemistry |
| 118.13899999999997 g/mol | RDKit | |
| 118.139 g/mol | RDKit | |
| 119.147 g/mol | chempirical lib | |
| Canonical SMILES | N=1C=C2C=CC=CN2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6N2/c1-2-4-9-6-8-5-7(9)3-1/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=JMANUKZDKDKBJP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 54-55 °C | CAS Common Chemistry |
| Name | Imidazo[1,5-a]pyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.3342999999999998 | RDKit |
| 1.3343 | RDKit | |
| Molar Refractivity | 35.19200000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 118.053098192 g/mol | RDKit |
| Boiling Point | 120-125 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 118.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6N2.
