Products Categories
CAS No.: | 956010-87-0 |
---|---|
Name: | 3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H4F3N3 |
Molecular Weight: | 187.124 |
Synonyms: | 1H-pyrazolo[3,4-b]pyridine, 3-(trifluoromethyl)-;LogP |
Density: | 1.536 g/cm3 |
Boiling Point: | 284.586 °C at 760 mmHg |
Flash Point: | 125.914 °C |
PSA: | 41.57000 |
LogP: | 1.97670 |
What can I do for you?
Get Best Price
The CAS registry number of 3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine is 956010-87-0. This chemical's molecular formula is C7H4F3N3 and molecular weight is 187.122. What's more, its systematic name is 3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine.
Physical properties about the 3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine are: (1) ACD/LogP: 1.30; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.291; (4) ACD/LogD (pH 7.4): 1.05; (5) ACD/BCF (pH 5.5): 5.623; (6) ACD/BCF (pH 7.4): 3.227; (7) ACD/KOC (pH 5.5): 119.472; (8) ACD/KOC (pH 7.4):68.554; (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: 15.735×10-24 cm3; (17) Surface Tension: 45.385 dyne/cm; (18) Density: 1.536 g/cm3; (19) Flash Point: 125.914 °C; (20) Enthalpy of Vaporization: 50.256 kJ/mol; (21) Boiling Point: 284.586 °C at 760 mmHg; (22) Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(n[nH]c2nc1)C(F)(F)F
(2) InChI: InChI=1/C7H4F3N3/c8-7(9,10)5-4-2-1-3-11-6(4)13-12-5/h1-3H,(H,11,12,13)
(3) InChIKey: TVDKAMJFPZJIKB-UHFFFAOYAW