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851386-37-3

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Basic Information
CAS No.: 851386-37-3
Name: 5,6-Difluoro-4-(trimethylsilyl)pyridine-2-carboxylic acid
Molecular Structure:
Molecular Structure of 851386-37-3 (5,6-Difluoro-4-(trimethylsilyl)pyridine-2-carboxylic acid)
Formula: C9H11F2NO2Si
Molecular Weight: 231.27
Synonyms: 2-Pyridinecarboxylic acid, 5,6-difluoro-4-(trimethylsilyl)-;5,6-Difluoro-4-(trimethylsilyl)pyridine-2-carboxylic acid;
Density: 1.22g/cm3
Melting Point: 120-121 ºC
Boiling Point: 266 ºC
Flash Point: 114 ºC
PSA: 50.19000
LogP: 1.60320
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Specification

The 5,6-Difluoro-4-(trimethylsilyl)pyridine-2-carboxylic acid, whose systematic name is 5,6-difluoro-4-(trimethylsilyl)pyridine-2-carboxylic acid. And it is also named 2-pyridinecarboxylic acid, 5,6-difluoro-4-(trimethylsilyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.39; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.19 Å2; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 53.69 cm3; (14)Molar Volume: 188 cm3; (15)Polarizability: 21.28×10-24cm3; (16)Surface Tension: 34.1 dyne/cm; (17)Enthalpy of Vaporization: 53.21 kJ/mol; (18)Vapour Pressure: 0.00451 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES:Fc1c(cc(nc1F)C(=O)O)[Si](C)(C)C;
(2)InChI:InChI=1/C9H11F2NO2Si/c1-15(2,3)6-4-5(9(13)14)12-8(11)7(6)10/h4H,1-3H3,(H,13,14);
(3)InChIKey:NPRPBBRUQDDLDV-UHFFFAOYAR;
(4)Std. InChI:InChI=1S/C9H11F2NO2Si/c1-15(2,3)6-4-5(9(13)14)12-8(11)7(6)10/h4H,1-3H3,(H,13,14);
(5)Std. InChIKey:NPRPBBRUQDDLDV-UHFFFAOYSA-N