Name: 2-BROMO-3-FLUORO-5-METHYLPYRIDINE
SKU: 34552-16-4

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Basic Information

Molecular Structure:
CAS No.:	34552-16-4
Name:	2-BROMO-3-FLUORO-5-METHYLPYRIDINE
Article Data:	2

Formula:	C₆H₅BrFN
Molecular Weight:	190.01
Synonyms:	2-Bromo-3-fluoro-5-methylpyridine;
Density:	1.592 g/cm³
Boiling Point:	205.014 °C at 760 mmHg
Flash Point:	77.79 °C
PSA:	12.89000
LogP:	2.29160

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Specification

The Pyridine, 2-bromo-3-fluoro-5-methyl-, with the CAS registry number 34552-16-4, is also known as 3-Fluoro-2-bromo-5-methyl-pyridine. This chemical's molecular formula is C₆H₅BrFN and molecular weight is 190.01. What's more, its systematic name is 2-Bromo-3-fluoro-5-methylpyridine.

Physical properties about Pyridine, 2-bromo-3-fluoro-5-methyl- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.773; (4)ACD/LogD (pH 7.4): 1.773; (5)ACD/BCF (pH 5.5): 13.114; (6)ACD/BCF (pH 7.4): 13.114; (7)ACD/KOC (pH 5.5): 219.63; (8)ACD/KOC (pH 7.4): 219.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 36.853 cm³; (15)Molar Volume: 119.327 cm³; (16)Polarizability: 14.61×10^-24 cm³; (17)Surface Tension: 38.216 dyne/cm; (18)Density: 1.592 g/cm³; (19)Flash Point: 77.79 °C; (20)Enthalpy of Vaporization: 42.323 kJ/mol; (21)Boiling Point: 205.014 °C at 760 mmHg; (22)Vapour Pressure: 0.366 mmHg at 25 °C.

Preparation of Pyridine, 2-bromo-3-fluoro-5-methyl-: this chemical is prepared by 2, 4-Dibromo-2-fluoro-4-formylvaleronitrile. The reaction temperature is 120 °C. The yield is about 20 %.

The Pyridine, 2-bromo-3-fluoro-5-methyl- can be obtained by 2, 4-Dibromo-2-fluoro-4-formylvaleronitrile.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(c(nc1)Br)F
(2) InChI: InChI=1/C6H5BrFN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
(3) InChIKey: OCTPYXPSXKTDIU-UHFFFAOYAS