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| CAS No.: | 41960-47-8 |
|---|---|
| Name: | 2-Cyano-5-iodopyridine |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C6H3IN2 |
| Molecular Weight: | 230.0059 |
| Synonyms: | 5-Iodopyridine-2-carbonitrile; |
| Density: | 2.04 g/cm3 |
| Boiling Point: | 314.3 °C at 760 mmHg |
| Flash Point: | 143.9 °C |
| PSA: | 36.68000 |
| LogP: | 1.55788 |
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- Total:20 Page 1 of 1 1
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Specification
The 2-Cyano-5-iodopyridine, with the CAS registry number of 41960-47-8, is also known as 5-Iodopicolinonitrile. This chemical's molecular formula is C6H3IN2 and molecular weight is 230.0059. What's more, its IUPAC name is 5-Iodopyridine-2-carbonitrile.
Physical properties about 2-Cyano-5-iodopyridine are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 36.68 Å2; (9)Index of Refraction: 1.669; (10)Molar Refractivity: 42.04 cm3; (11)Molar Volume: 112.6 cm3; (12)Surface Tension: 67.2 dyne/cm; (13)Density: 2.04 g/cm3; (14)Flash Point: 143.9 °C; (15)Enthalpy of Vaporization: 55.55 kJ/mol; (16)Boiling Point: 314.3 °C at 760 mmHg; (17)Vapour Pressure: 0.000469 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cnc(C#N)cc1
(2) InChI: InChI=1/C6H3IN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
(3) InChIKey: JMFSIRGELWNSRE-UHFFFAOYAX