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375368-78-8

Basic Information
CAS No.: 375368-78-8
Name: Pyridine,3-bromo-2-fluoro-6-methyl-
Molecular Structure:
Molecular Structure of 375368-78-8 (Pyridine,3-bromo-2-fluoro-6-methyl-)
Formula: C6H5BrFN
Molecular Weight: 190.01
Synonyms: 3-Bromo-2-fluoro-6-methylpyridine;2-Fluoro-3-Bromo-6-Methylpyridine;
EINECS:
Density: 1.592 g/cm3
Melting Point:
Boiling Point: 194.2 °C at 760 mmHg
Flash Point: 71.2 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 12.89000
LogP: 2.29160
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Specification

The IUPAC name of 3-Bromo-2-fluoro-6-methylpyridine is 3-bromo-2-fluoro-6-methylpyridine. With the CAS registry number 375368-78-8, it is also named as Pyridine,3-bromo-2-fluoro-6-methyl-. The product's categories are Pyridine; Pyridines. In addition, its molecular formula is C6H5BrFN and molecular weight is 190.01.

The other characteristics of 3-Bromo-2-fluoro-6-methylpyridine can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)XLogP3-AA: 2.4; (9)Rotatable Bond Count: 0; (10)Exact Mass: 188.95894; (11)MonoIsotopic Mass: 188.95894; (12)Topological Polar Surface Area: 12.9; (13)Heavy Atom Count: 9; (14)Complexity: 99.1; (15)Polar Surface Area: 12.89 Å2; (16)Index of Refraction: 1.529; (17)Molar Refractivity: 36.85 cm3; (18)Molar Volume: 119.3 cm3; (19)Polarizability: 14.6×10-24cm3; (20)Surface Tension: 38.2 dyne/cm; (21)Density: 1.592 g/cm3; (22)Flash Point: 71.2 °C; (23)Enthalpy of Vaporization: 41.28 kJ/mol; (24)Boiling Point: 194.2 °C at 760 mmHg; (25)Vapour Pressure: 0.625 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1ccc(c(n1)F)Br
(2)InChI: InChI=1/C6H5BrFN/c1-4-2-3-5(7)6(8)9-4/h2-3H,1H3
(3)InChIKey: ZFXJNYKHLITMJY-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H5BrFN/c1-4-2-3-5(7)6(8)9-4/h2-3H,1H3
(5)Std. InChIKey: ZFXJNYKHLITMJY-UHFFFAOYSA-N