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Molecule
4,4'-Bipyridine
CAS: 553-26-4 · C10H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 553-26-4
- Molecular Formula
- C10H8N2
- Molecular Mass
- 156.19 g/mol
Identifiers
CAS Registry Number
553-26-4
SMILES
c1cc(-c2ccncc2)ccn1
InChI Key
MWVTWFVJZLCBMC-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H
Names and Synonyms
- 4,4'-Bipyridine Systematic Name
- 4,4′-Bipyridine Synonym
- γ,γ′-Bipyridyl Synonym
- 4,4′-Dipyridyl Synonym
- 4,4′-Bipyridyl Synonym
- 4,4′-Dipyridine Synonym
- 4-(4-Pyridyl)pyridine Synonym
- IK 12 Synonym
- γ,γ′-Dipyridyl Synonym
- NSC 404423 Synonym
- SERS 420 Synonym
- [4,4′]Bipyridinyl 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 | |
| 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 |
| 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
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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.
