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3-Trifluoromethyl-[1,2,4]triazolo[4,3-a]pyridine

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Name

3-Trifluoromethyl-[1,2,4]triazolo[4,3-a]pyridine

EINECS N/A
CAS No. 151102-13-5 Density 1.52 g/cm3
PSA 0.00000 LogP 0.00000
Solubility N/A Melting Point N/A
Formula C7H4F3N3 Boiling Point N/A
Molecular Weight 187.122 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 151102-13-5 (1,2,4-TRIAZOLO[4,3-A]PYRIDINE, 3-(TRIFLUOROMETHYL)-) Hazard Symbols N/A
Synonyms

3-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine;

 

3-Trifluoromethyl-[1,2,4]triazolo[4,3-a]pyridine Specification

The 3-Trifluoromethyl-[1,2,4]triazolo[4,3-a]pyridine, with the CAS registry number 151102-13-5, is also known as 1,2,4-Triazolo[4,3-a]pyridine, 3-(trifluoromethyl)-. This chemical's molecular formula is C7H4F3N3 and molecular weight is 187.122. What's more, its systematic name is called 3-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine.

Physical properties about 3-Trifluoromethyl-[1,2,4]triazolo[4,3-a]pyridine are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.85; (6)ACD/BCF (pH 7.4): 17.85; (7)ACD/KOC (pH 5.5): 273.87; (8)ACD/KOC (pH 7.4): 273.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 39.91 cm3; (15)Molar Volume: 122.5 cm3; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.52 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1nnc2ccccn12
(2) InChI: InChI=1/C7H4F3N3/c8-7(9,10)6-12-11-5-3-1-2-4-13(5)6/h1-4H
(3) InChIKey: CPPGKUNXLJPVNO-UHFFFAOYAG

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