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Terpyridine
CAS: 1148-79-4 | C15H11N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1148-79-4
Molecular Formula:
C15H11N3
Molecular Mass:
233.27 g/mol
Names and Synonyms:
Terpyridine
2,2′:6′,2′′-Terpyridine
2,2′,2′′-Tripyridine
Ba 2799
2,2′,2′′-Terpyridine
2,6-Bis(2-pyridyl)pyridine
2,2′,2′′-Terpyridyl
α,α′,α′′-Tripyridyl
2,2′,2′′-Tripyridyl
2,2′:6′,2′′-Terpyridyl
NSC 3905
NSC 36755
2,6-Di(2-pyridyl)pyridine
2,6-Di(pyridin-2-yl)pyridine
TPY
2,6-Bis(pyridin-2-yl)pyridine
Identifiers:
SMILES:
c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChI:
InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
Key Properties
Melting Point
89-91 °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 | 233.27 g/mol | CAS Common Chemistry |
| 233.274 g/mol | RDKit | |
| 233.095297352 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Terpyridine | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1C=2N=C(C=CC2)C=3N=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H | CAS Common Chemistry |
| InChI Key | InChIKey=DRGAZIDRYFYHIJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89-91 °C | CAS Common Chemistry |
| Name | 2,2′:6′,2′′-Terpyridine | CAS Common Chemistry |
| Terpyridine | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 38.67 Ų | RDKit |
| LogP | 3.2056000000000022 | RDKit |
| Molar Refractivity | 70.69900000000003 | RDKit |
