Back to Search
Imidazo[4,5-B]Pyridine
CAS: 273-21-2 | C6H5N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
273-21-2
Molecular Formula:
C6H5N3
Molecular Mass:
119.13 g/mol
Names and Synonyms:
Imidazo[4,5-B]Pyridine
3H-Imidazo[4,5-b]pyridine
1H-Imidazo[4,5-b]pyridine
Imidazo[4,5-b]pyridine
4-Azabenzimidazole
1-Deazapurine
3,4-Diazaindole
1-Deaza-9H-purine
7-Azabenzimidazole
1,3,4-Triaza-3H-indene
4-Aza-3H-benzimidazole
7-Aza-1H-benzimidazole
4-Azabenzodiazole
NSC 403091
4-Aza-1H-benzimidazole
1,3,4-Triaza-1H-indene
Identifiers:
SMILES:
c1cnc2[nH]cnc2c1
InChI:
InChI=1S/C6H5N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4H,(H,7,8,9)
Key Properties
Melting Point
149.5 °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 | 119.13 g/mol | CAS Common Chemistry |
| 119.12699999999998 g/mol | RDKit | |
| 119.04834715999999 g/mol | RDKit | |
| Canonical SMILES | N1=CC=CC=2NC=NC12 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4H,(H,7,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=GAMYYCRTACQSBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149.5 °C | CAS Common Chemistry |
| Name | Imidazo[4,5-b]pyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 41.57 Ų | RDKit |
| LogP | 0.9578999999999999 | RDKit |
| Molar Refractivity | 33.88870000000001 | RDKit |
