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Molecule
2,4′-Bipyridine
CAS: 581-47-5 · C10H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 581-47-5
- Molecular Formula
- C10H8N2
- Molecular Mass
- 156.19 g/mol
Identifiers
CAS Registry Number
581-47-5
SMILES
c1ccc(-c2ccncc2)nc1
InChI Key
RMHQDKYZXJVCME-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-8H
Names and Synonyms
- 2,4′-Bipyridine Systematic Name
- 2,4′-Bipyridine Synonym
- 2,4′-Bipyridyl Synonym
- 2,4′-Dipyridine Synonym
- 2,4′-Dipyridyl Synonym
- 4-(2-Pyridyl)pyridine Synonym
- 2-(Pyridin-4-yl)pyridine Synonym
- 2-Pyridin-4-ylpyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.19 g/mol | CAS Common Chemistry |
| 156.188 g/mol | RDKit | |
| Boiling Point | 281 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC(=CC1)C=2N=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=RMHQDKYZXJVCME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61.5 °C | CAS Common Chemistry |
| Name | 2,4′-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 |
| 24.72 Ų | chempirical lib | |
| LogP | 2.1435999999999993 | RDKit |
| 2.1436 | RDKit | |
| Molar Refractivity | 47.468000000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 156.068748256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 156.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8N2.
