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Molecule
3-Formyl-2-Phenylimidazo[1,2-A]Pyridine
CAS: 3672-39-7 · C14H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3672-39-7
- Molecular Formula
- C14H10N2O
- Molecular Mass
- 222.25 g/mol
Identifiers
CAS Registry Number
3672-39-7
SMILES
O=Cc1c(-c2ccccc2)nc2ccccn12
InChI Key
GDQWGRMPXASNTI-UHFFFAOYSA-N
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
Names and Synonyms
- 3-Formyl-2-Phenylimidazo[1,2-A]Pyridine Systematic Name
- Imidazo[1,2-a]pyridine-3-carboxaldehyde, 2-phenyl- Synonym
- 2-Phenylimidazo[1,2-a]pyridine-3-carboxaldehyde Synonym
- 3-Formyl-2-phenylimidazo[1,2-a]pyridine Synonym
- 2-Phenylimidazo[1,2-a]pyridine-3-carbaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.25 g/mol | CAS Common Chemistry |
| 222.24699999999999 g/mol | RDKit | |
| 222.247 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 |
| 2 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 34.370000000000005 Ų | RDKit |
| 34.37 Ų | RDKit | |
| 32.44 Ų | chempirical lib | |
| LogP | 2.8138000000000005 | RDKit |
| 2.8138 | RDKit | |
| Molar Refractivity | 66.01550000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 222.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 222.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H10N2O.
