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Imidazo[1,2-A]Pyridine-2-Carboxylic Acid
CAS: 64951-08-2 | C8H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64951-08-2
Molecular Formula:
C8H6N2O2
Molecular Mass:
162.15 g/mol
Names and Synonyms:
Imidazo[1,2-A]Pyridine-2-Carboxylic Acid
Imidazo[1,2-a]pyridine-2-carboxylic acid
Identifiers:
SMILES:
O=C(O)c1cn2ccccc2n1
InChI:
InChI=1S/C8H6N2O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-5H,(H,11,12)
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 |
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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 | 162.15 g/mol | CAS Common Chemistry |
| 162.148 g/mol | RDKit | |
| 162.042927432 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=1N=C2C=CC=CN2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H6N2O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6/h1-5H,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=WQLJLPDGSLZYEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Imidazo[1,2-a]pyridine-2-carboxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 54.599999999999994 Ų | RDKit |
| LogP | 1.0324999999999998 | RDKit |
| Molar Refractivity | 42.15130000000001 | RDKit |
