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13797-63-2

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Basic Information
CAS No.: 13797-63-2
Name: 2-TRIFLUOROMETHYL-3H-IMIDAZO[4,5-B]PYRIDINE
Article Data: 7
Molecular Structure:
Molecular Structure of 13797-63-2 (2-TRIFLUOROMETHYL-3H-IMIDAZO[4,5-B]PYRIDINE)
Formula: C7H4F3N3
Molecular Weight: 187.124
Synonyms: 1H-Imidazo[4,5-b]pyridine,2-(trifluoromethyl)- (8CI,9CI);2-(Trifluoromethyl)-1H-imidazo[4,5-b]pyridine;
Density: 1.536 g/cm3
Melting Point: 275-276℃
Boiling Point: 279.248 °C at 760 mmHg
Flash Point: 122.685 °C
PSA: 41.57000
LogP: 1.97670
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Specification

The 3H-Imidazo[4,5-b]pyridine,2-(trifluoromethyl)-, with the CAS registry number 13797-63-2, is also known as 1H-Imidazo[4,5-b]pyridine,2-(trifluoromethyl)-. This chemical's molecular formula is C7H4F3N3 and molecular weight is 187.12. What's more, its systematic name is 2-(Trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Physical properties of 3H-Imidazo[4,5-b]pyridine,2-(trifluoromethyl)- are: (1)ACD/LogP: 1.454; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 7.07; (6)ACD/BCF (pH 7.4): 1.36; (7)ACD/KOC (pH 5.5): 138.85; (8)ACD/KOC (pH 7.4): 26.72; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 39.691 cm3; (15)Molar Volume: 121.83 cm3; (16)Polarizability: 15.735×10-24cm3; (17)Surface Tension: 45.38 dyne/cm; (18)Density: 1.536 g/cm3; (19)Flash Point: 122.685 °C; (20)Enthalpy of Vaporization: 49.71 kJ/mol; (21)Boiling Point: 279.248 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.

Preparation of 3H-Imidazo[4,5-b]pyridine,2-(trifluoromethyl)-: this chemical can be prepared by pyridine-2,3-diamine and trifluoroacetic acid by heating. The reaction time is 2 days. The yield is about 97%.

3H-Imidazo[4,5-b]pyridine,2-(trifluoromethyl)- can be prepared by pyridine-2,3-diamine and trifluoroacetic acid by heating

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2nc1ncccc1n2
(2)Std. InChI: InChI=1S/C7H4F3N3/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6/h1-3H,(H,11,12,13)
(3)Std. InChIKey: ZARGVGOKPZAHDY-UHFFFAOYSA-N