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4,4'-Bipyridine
CAS: 553-26-4 | C10H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
553-26-4
Molecular Formula:
C10H8N2
Molecular Mass:
156.19 g/mol
Names and Synonyms:
4,4'-Bipyridine
4,4′-Bipyridine
γ,γ′-Bipyridyl
4,4′-Dipyridyl
4,4′-Bipyridyl
4,4′-Dipyridine
4-(4-Pyridyl)pyridine
IK 12
γ,γ′-Dipyridyl
NSC 404423
SERS 420
[4,4′]Bipyridinyl
Identifiers:
SMILES:
c1cc(-c2ccncc2)ccn1
InChI:
InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H
Key Properties
Boiling Point
305 °C
CAS Common Chemistry
Melting Point
111 °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 | 156.19 g/mol | CAS Common Chemistry |
| 156.188 g/mol | RDKit | |
| 156.068748256 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%27-Bipyridine | CAS Common Chemistry |
| Boiling Point | 305 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC(=CC1)C=2C=CN=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=MWVTWFVJZLCBMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111 °C | CAS Common Chemistry |
| Name | 4,4′-Bipyridine | CAS Common Chemistry |
| 4,4'-Bipyridine | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| LogP | 2.1435999999999993 | RDKit |
| Molar Refractivity | 47.468000000000025 | RDKit |
