Name: 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine
SKU: 1214377-42-0

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Basic Information

Molecular Structure:
CAS No.:	1214377-42-0
Name:	5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine
Article Data:	6

Formula:	C₇H₅BrF₃NO
Molecular Weight:	256.02
Synonyms:	Pyridine, 5-bromo-2-methoxy-3-(trifluoromethyl)-;
Density:	1.637 g/cm³
Boiling Point:	208 °C at 760 mmHg
Flash Point:	79.6 °C
PSA:	22.12000
LogP:	2.87150

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Specification

The chemical with CAS registry number of 1214377-42-0 is known as 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine. The systematic name is Pyridine, 5-bromo-2-methoxy-3-(trifluoromethyl)-. In addition, the formula is C₇H₅BrF₃NO and the molecular weight is 256.02.

Physical properties about 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 201.87; (6)ACD/BCF (pH 7.4): 201.87; (7)ACD/KOC (pH 5.5): 1554.46; (8)ACD/KOC (pH 7.4): 1554.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 43.69 cm³; (15)Molar Volume: 156.3 cm³; (16)Polarizability: 17.32×10^-24cm³; (17)Surface Tension: 29.9 dyne/cm; (18)Density: 1.637 g/cm³; (19)Flash Point: 79.6 °C; (20)Enthalpy of Vaporization: 42.61 kJ/mol; (21)Boiling Point: 208 °C at 760 mmHg; (22)Vapour Pressure: 0.316 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: COc1c(cc(cn1)Br)C(F)(F)F
2. InChI: InChI=1/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3
3. InChIKey: ZIOFHXRZJCIBCO-UHFFFAOYAT
4. Std. InChI: InChI=1S/C7H5BrF3NO/c1-13-6-5(7(9,10)11)2-4(8)3-12-6/h2-3H,1H3
5. Std. InChIKey: ZIOFHXRZJCIBCO-UHFFFAOYSA-N