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[Imidazo[1,2-A]Pyridin-6-Yl]Boronic Acid
CAS: 913835-63-9 | C7H7BN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
913835-63-9
Molecular Formula:
C7H7BN2O2
Molecular Mass:
161.96 g/mol
Names and Synonyms:
[Imidazo[1,2-A]Pyridin-6-Yl]Boronic Acid
Boronic acid, B-imidazo[1,2-a]pyridin-6-yl-
Boronic acid, imidazo[1,2-a]pyridin-6-yl-
B-Imidazo[1,2-a]pyridin-6-ylboronic acid
[Imidazo[1,2-a]pyridin-6-yl]boronic acid
Identifiers:
SMILES:
OB(O)c1ccc2nccn2c1
InChI:
InChI=1S/C7H7BN2O2/c11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5,11-12H
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 | 161.96 g/mol | CAS Common Chemistry |
| 161.957 g/mol | RDKit | |
| 162.060057864 g/mol | RDKit | |
| Canonical SMILES | OB(O)C=1C=CC2=NC=CN2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7BN2O2/c11-8(12)6-1-2-7-9-3-4-10(7)5-6/h1-5,11-12H | CAS Common Chemistry |
| InChI Key | InChIKey=IPJIKGJKMCILGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [Imidazo[1,2-a]pyridin-6-yl]boronic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.760000000000005 Ų | RDKit |
| LogP | -0.9859000000000004 | RDKit |
| Molar Refractivity | 45.01760000000002 | RDKit |
