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| CAS No.: | 18653-75-3 |
|---|---|
| Name: | 2-(1H-IMIDAZOL-2-YL)-PYRIDINE |
| Molecular Structure: | |
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| Formula: | C8H7N3 |
| Molecular Weight: | 145.164 |
| Synonyms: | Pyridine,2-imidazol-2-yl- (8CI);2-(1H-Imidazol-2-yl)pyridine;2-(2-Pyridyl)imidazole;2-(2'-Pyridyl)imidazole;2-(Imidazol-2-yl)pyridine;2-(Pyridin-2-yl)imidazole; |
| Density: | 1.214 g/cm3 |
| Melting Point: | 135-140°C |
| Boiling Point: | 382.8 °C at 760 mmHg |
| Flash Point: | 191.5 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 41.57000 |
| LogP: | 1.47170 |
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Specification
The Pyridine, 2-(1H-imidazol-2-yl)-, with the CAS registry number 18653-75-3, is also known as 2-(2-Pyridyl)imidazole. This chemical's molecular formula is C8H7N3 and molecular weight is 145.16. What's more, its systematic name is 2-(1H-Imidazol-2-yl)pyridine.
Physical properties about Pyridine, 2-(1H-imidazol-2-yl)- are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 27.68; (8)ACD/KOC (pH 7.4): 38.53; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 41.46 cm3; (15)Molar Volume: 119.4 cm3; (16)Polarizability: 16.43×10-24 cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.214 g/cm3; (19)Flash Point: 191.5 °C; (20)Enthalpy of Vaporization: 60.66 kJ/mol; (21)Boiling Point: 382.8 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1ccccc1c2nccn2
(2) InChI: InChI=1/C8H7N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-6H,(H,10,11)
(3) InChIKey: SZXUTTGMFUSMCE-UHFFFAOYAS