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2-Phenylpyridine
CAS: 1008-89-5 | C11H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1008-89-5
Molecular Formula:
C11H9N
Molecular Mass:
155.20 g/mol
Names and Synonyms:
2-Phenylpyridine
Pyridine, 2-phenyl-
2-Phenylpyridine
o-Phenylpyridine
α-Phenylpyridine
NSC 89291
Identifiers:
SMILES:
c1ccc(-c2ccccn2)cc1
InChI:
InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H
Key Properties
Boiling Point
271 °C
CAS Common Chemistry
Melting Point
148-149 °C
CAS Common Chemistry
Density
1.08 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 | 155.20 g/mol | CAS Common Chemistry |
| 155.19999999999996 g/mol | RDKit | |
| 155.073499288 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0833 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Phenylpyridine | CAS Common Chemistry |
| Boiling Point | 271 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H | CAS Common Chemistry |
| InChI Key | InChIKey=VQGHOUODWALEFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 148-149 °C | CAS Common Chemistry |
| Name | 2-Phenylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 2.7486000000000006 | RDKit |
| Molar Refractivity | 49.67300000000003 | RDKit |
