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19918-36-6

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Basic Information
CAS No.: 19918-36-6
Name: 2-(trifluoromethyl)-1H-imidazo[4,5-c]pyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 19918-36-6 (2-(trifluoromethyl)-1H-imidazo[4,5-c]pyridine)
Formula: C7H4F3N3
Molecular Weight: 187.122
Synonyms: 1H-Imidazo[4,5-c]pyridine,2-(trifluoromethyl)- (8CI,9CI);2-(Trifluoromethyl)-1H-imidazo[4,5-c]pyridine;
Density: 1.536 g/cm3
Melting Point: 290-291 °C(Solv: water (7732-18-5))
Boiling Point: 297.866 °C at 760 mmHg
Flash Point: 133.945 °C
PSA: 41.57000
LogP: 1.97670
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Specification

The 3H-Imidazo[4,5-c]pyridine,2-(trifluoromethyl)-, with the CAS registry number 19918-36-6, is also known as Imidazo[4,5-c]pyridine, 2-trifluoromethyl-. This chemical's molecular formula is C7H4F3N3 and molecular weight is 187.122. What's more, both its IUPAC name and systematic name are the same which is called 2-(Trifluoromethyl)-3H-imidazo[4,5-c]pyridine.

Physical properties about 3H-Imidazo[4,5-c]pyridine,2-(trifluoromethyl)- are: (1) ACD/LogP: 0.94; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.827; (4) ACD/LogD (pH 7.4): 0.705; (5) ACD/BCF (pH 5.5): 2.351; (6) ACD/BCF (pH 7.4): 1.778; (7) ACD/KOC (pH 5.5): 59.601; (8) ACD/KOC (pH 7.4): 45.062; (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) Surface Tension: 45.385 dyne/cm; (17) Density: 1.536 g/cm3; (18) Flash Point: 133.945 °C; (19) Enthalpy of Vaporization: 51.623 kJ/mol; (20) Boiling Point: 297.866 °C at 760 mmHg; (21) Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cncc2c1[nH]c(n2)C(F)(F)F
(2) InChI: InChI=1/C7H4F3N3/c8-7(9,10)6-12-4-1-2-11-3-5(4)13-6/h1-3H,(H,12,13)
(3) InChIKey: ATGHGGBCGLFTCY-UHFFFAOYAD