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2,3′-Bipyridine
CAS: 581-50-0 | C10H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
581-50-0
Molecular Formula:
C10H8N2
Molecular Mass:
156.19 g/mol
Names and Synonyms:
2,3′-Bipyridine
2,3′-Bipyridine
2,3′-Dipyridyl
α,β-Bipyridine
2,3′-Bipyridyl
α,β-Dipyridyl
2,3′-Dipyridine
Isonicoteine
2-(3-Pyridyl)pyridine
2-(3-Pyridinyl)pyridine
3-(2-Pyridyl)pyridine
Identifiers:
SMILES:
c1ccc(-c2cccnc2)nc1
InChI:
InChI=1S/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H
Key Properties
Boiling Point
295.5 °C
CAS Common Chemistry
Melting Point
30-32 °C @ Solvent: Ligroine
CAS Common Chemistry
Density
1.10 g/cm³
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 | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0984 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 295.5 °C | CAS Common Chemistry |
| Canonical SMILES | N1=CC=CC(=C1)C=2N=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=VEKIYFGCEAJDDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 30-32 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | 2,3′-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 |
