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749256-84-6

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Basic Information
CAS No.: 749256-84-6
Name: 2-Hydroxy-4-methyl-6-(trifluoromethyl)-pyridine
Molecular Structure:
Molecular Structure of 749256-84-6 (2-Hydroxy-4-methyl-6-(trifluoromethyl)-pyridine)
Formula: C7H6F3NO
Molecular Weight: 177.126
Synonyms: 4-Methyl-6-(trifluoroMethyl)pyridin-2(1H)-one
Density: 1.316 g/cm3
Boiling Point: 231.286 °C at 760 mmHg
Flash Point: 93.679 °C
PSA: 33.12000
LogP: 2.11440
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Specification

This chemical is called 2(1H)-Pyridinone,4-methyl-6-(trifluoromethyl)-, and its systematic name is 4-methyl-6-(trifluoromethyl)pyridin-2(1H)-one. With the molecular formula of C7H6F3NO, its molecular weight is 177.1238. The CAS registry number of this chemical is 749256-84-6.

Other characteristics of the 2(1H)-Pyridinone,4-methyl-6-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36; (8)ACD/KOC (pH 7.4): 30; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 35.232 cm3; (15)Molar Volume: 134.617 cm3; (16)Polarizability: 13.967×10-24cm3; (17)Surface Tension: 26.572 dyne/cm; (18)Density: 1.316 g/cm3; (19)Flash Point: 93.679 °C; (20)Enthalpy of Vaporization: 46.794 kJ/mol; (21)Boiling Point: 231.286 °C at 760 mmHg; (22)Vapour Pressure: 0.063 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1/C=C(\C=C(/N1)C(F)(F)F)C
2.InChI: InChI=1/C7H6F3NO/c1-4-2-5(7(8,9)10)11-6(12)3-4/h2-3H,1H3,(H,11,12)
3.InChIKey: FIKJHRDIKOQSFG-UHFFFAOYAP