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CAS No.: | 884494-51-3 |
---|---|
Name: | 2-Fluoro-4-iodonicotinic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H3FINO2 |
Molecular Weight: | 267 |
Synonyms: | 2-Fluoro-4-iodonicotinicacid; |
Density: | 2.198 g/cm3 |
Boiling Point: | 347 °C at 760 mmHg |
Flash Point: | 163.7 °C |
PSA: | 50.19000 |
LogP: | 1.52350 |
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This chemical is called 3-Pyridinecarboxylic acid, 2-fluoro-4-iodo-, and its systematic name is 2-Fluoro-4-iodonicotinic acid. With the molecular formula of C6H3FINO2, its molecular weight is 267. The CAS registry number of this chemical is 884494-51-3. Additionally, its product category is Boronic Acid.
Other characteristics of the 3-Pyridinecarboxylic acid, 2-fluoro-4-iodo- can be summarised as followings: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 44.17 cm3; (13)Molar Volume: 121.4 cm3; (14)Polarizability: 17.51×10-24cm3; (15)Surface Tension: 66 dyne/cm; (16)Density: 2.198 g/cm3; (17)Flash Point: 163.7 °C; (18)Enthalpy of Vaporization: 62.4 kJ/mol; (19)Boiling Point: 347 °C at 760 mmHg; (20)Vapour Pressure: 2.09E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cnc(c(c1I)C(=O)O)F
2.InChI: InChI=1/C6H3FINO2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H,10,11)
3.InChIKey: QKPLTGKHTYHYLU-UHFFFAOYAY