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| CAS No.: | 22282-65-1 |
|---|---|
| Name: | 4-Iodo-2-methylpyridine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C6H6IN |
| Molecular Weight: | 219.025 |
| Synonyms: | Pyridine, 4-iodo-2-methyl-; |
| Density: | 1.81 g/cm3 |
| Boiling Point: | 222.12 °C at 760 mmHg |
| Flash Point: | 88.135 °C |
| PSA: | 12.89000 |
| LogP: | 1.99460 |
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Specification
The Pyridine,4-iodo-2-methyl-, with the CAS registry number of 22282-65-1, is also known as Pyridine, 4-iodo-2-methyl-. It belongs to the product categories of Pharmacetical; Pyridines. This chemical's molecular formula is C6H6IN and molecular weight is 219.02. What's more, its systematic name is 4-Iodo-2-methylpyridine.
Physical properties about the Pyridine,4-iodo-2-methyl- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 343; (8)ACD/KOC (pH 7.4): 383; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 42.076 cm3; (15)Molar Volume: 121.005 cm3; (16)Surface Tension: 45.734 dyne/cm; (17)Density: 1.81 g/cm3; (18)Flash Point: 88.135 °C; (19)Enthalpy of Vaporization: 43.991 kJ/mol; (20)Boiling Point: 222.12 °C at 760 mmHg; (21)Vapour Pressure: 0.154 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1ccnc(C)c1
(2) InChI: InChI=1/C6H6IN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
(3) InChIKey: RZRJLVROVUWDKL-UHFFFAOYAZ