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| CAS No.: | 249583-84-4 |
|---|---|
| Name: | 5-Acetyl-2-cyanopyridine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H6N2O |
| Molecular Weight: | 146.148 |
| Synonyms: | 5-acetylpyridine-2-carbonitrile;2-pyridinecarbonitrile, 5-acetyl-; |
| Density: | 1.19 g/cm3 |
| Boiling Point: | 336.5 °C at 760 mmHg |
| Flash Point: | 157.3 °C |
| PSA: | 53.75000 |
| LogP: | 1.15588 |
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Specification
The 2-Pyridinecarbonitrile,5-acetyl-, with the CAS registry number 249583-84-4, has the systematic name of 5-acetylpyridine-2-carbonitrile. It belongs to the product categories of Acetylgroup and Pyridine. And the molecular formula of this chemical is C8H6N2O.
The physical properties of 2-Pyridinecarbonitrile,5-acetyl- are as following: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 53.75 Å2; (9)Index of Refraction: 1.539; (10)Molar Refractivity: 38.48 cm3; (11)Molar Volume: 122.7 cm3; (12)Polarizability: 15.25×10-24cm3; (13)Surface Tension: 53.5 dyne/cm; (14)Density: 1.19 g/cm3; (15)Flash Point: 157.3 °C; (16)Enthalpy of Vaporization: 57.96 kJ/mol; (17)Boiling Point: 336.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000112 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cn1)C(C)=O
(2)InChI: InChI=1/C8H6N2O/c1-6(11)7-2-3-8(4-9)10-5-7/h2-3,5H,1H3
(3)InChIKey: XKHZUBPLEFQIEM-UHFFFAOYAG