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3-Formyl-2-Phenylimidazo[1,2-A]Pyridine
CAS: 3672-39-7 | C14H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3672-39-7
Molecular Formula:
C14H10N2O
Molecular Mass:
222.25 g/mol
Names and Synonyms:
3-Formyl-2-Phenylimidazo[1,2-A]Pyridine
Imidazo[1,2-a]pyridine-3-carboxaldehyde, 2-phenyl-
2-Phenylimidazo[1,2-a]pyridine-3-carboxaldehyde
3-Formyl-2-phenylimidazo[1,2-a]pyridine
2-Phenylimidazo[1,2-a]pyridine-3-carbaldehyde
Identifiers:
SMILES:
O=Cc1c(-c2ccccc2)nc2ccccn12
InChI:
InChI=1S/C14H10N2O/c17-10-12-14(11-6-2-1-3-7-11)15-13-8-4-5-9-16(12)13/h1-10H
Key Properties
Melting Point
145-146 °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 | 222.25 g/mol | CAS Common Chemistry |
| 222.24699999999999 g/mol | RDKit | |
| 222.07931294 g/mol | RDKit | |
| Canonical SMILES | O=CC1=C(N=C2C=CC=CN21)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10N2O/c17-10-12-14(11-6-2-1-3-7-11)15-13-8-4-5-9-16(12)13/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=GDQWGRMPXASNTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145-146 °C | CAS Common Chemistry |
| Name | 3-Formyl-2-phenylimidazo[1,2-a]pyridine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 34.370000000000005 Ų | RDKit |
| LogP | 2.8138000000000005 | RDKit |
| Molar Refractivity | 66.01550000000003 | RDKit |
