3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine supplier

Name
3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
EINECS
CAS No. 956010-87-0
Article Data8
CAS DataBase
Density 1.536 g/cm³
Solubility
Melting Point
Formula C₇H₄F₃N₃
Boiling Point 284.586 °C at 760 mmHg
Molecular Weight 187.124
Flash Point 125.914 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-pyrazolo[3,4-b]pyridine, 3-(trifluoromethyl)-;LogP
PSA 41.57000
LogP 1.97670

3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine Specification

The CAS registry number of 3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine is 956010-87-0. This chemical's molecular formula is C₇H₄F₃N₃and 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^-24cm³; (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

Product Name

3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine Specification

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