Name: 6-(TRIFLUOROMETHYL)NICOTINAMIDE
SKU: 386715-35-1

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Basic Information

Molecular Structure:
CAS No.:	386715-35-1
Name:	6-(TRIFLUOROMETHYL)NICOTINAMIDE
Article Data:	4

Formula:	C₇H₅F₃N₂O
Molecular Weight:	190.125
Synonyms:	6-(Trifluoromethyl)pyridine-3-carboxamide;
Density:	1.409 g/cm³
Melting Point:	185-187 °C
Boiling Point:	270.1 °C at 760 mmHg
Flash Point:	117.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	55.98000
LogP:	1.89960

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Specification

The 3-Pyridinecarboxamide,6-(trifluoromethyl)-, with CAS registry number 386715-35-1, belongs to the following product categories: (1)Acids and Derivatives; (2)Heterocycles; (3)API intermediates. It has the systematic name of 6-(trifluoromethyl)pyridine-3-carboxamide. And the chemical formula of this chemical is C₇H₅F₃N₂O.

Physical properties of 3-Pyridinecarboxamide,6-(trifluoromethyl)-: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.65; (6)ACD/BCF (pH 7.4): 2.65; (7)ACD/KOC (pH 5.5): 69.94; (8)ACD/KOC (pH 7.4): 69.94; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 38.25 cm³; (15)Molar Volume: 134.8 cm³; (16)Polarizability: 15.16×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.409 g/cm³; (19)Flash Point: 117.2 °C; (20)Enthalpy of Vaporization: 50.83 kJ/mol; (21)Boiling Point: 270.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00696 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Pyridinecarboxamide,6-(trifluoromethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ncc(C(=O)N)cc1
(2)InChI: InChI=1/C7H5F3N2O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-3H,(H2,11,13)
(3)InChIKey: RIKJKWNZUSPCCM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H5F3N2O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-3H,(H2,11,13)
(5)Std. InChIKey: RIKJKWNZUSPCCM-UHFFFAOYSA-N