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884495-46-9

Basic Information
CAS No.: 884495-46-9
Name: Pyridine,3-bromo-2-fluoro-4-methyl-
Molecular Structure:
Molecular Structure of 884495-46-9 (Pyridine,3-bromo-2-fluoro-4-methyl-)
Formula: C6H5BrFN
Molecular Weight: 190.01
Synonyms: 3-Bromo-2-fluoro-4-methylpyridine;3-Bromo-2-fluoro-4-picoline;
EINECS: N/A
Density: 1.592 g/cm3
Melting Point: N/A
Boiling Point: 210.5 °C at 760 mmHg
Flash Point: 81.1 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 12.89000
LogP: 2.29160
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  • 3-BroMo-2-fluoro-4-Methylpyridine

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    3-BroMo-2-fluoro-4-Methylpyridine

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    884495-46-9

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  • 3-bromo-2-fluoro-4-methylpyridine

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    3-bromo-2-fluoro-4-methylpyridine

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  • 3-BroMo-2-fluoro-4-Methylpyridine

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    3-BroMo-2-fluoro-4-Methylpyridine

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Specification

The IUPAC name of 3-Bromo-2-fluoro-4-methylpyridine is 3-Bromo-2-fluoro-4-methylpyridine. With the CAS registry number 884495-46-9, it is also named as 3-Bromo-2-fluoro-4-picoline. The product's category is Pyridine. In addition, its molecular formula is C6H5BrFN and its molecular weight is 190.01. 

The other characteristics of 3-Bromo-2-fluoro-4-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)ACD/BCF (pH 5.5): 29.46; (6)ACD/BCF (pH 7.4): 29.46; (7)ACD/KOC (pH 5.5): 392.02; (8)ACD/KOC (pH 7.4): 392.02; (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: 1.529; (14)Molar Refractivity: 36.85 cm3; (15)Molar Volume: 119.3 cm3; (16)Polarizability: 14.6×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.592 g/cm3; (19)Flash Point: 81.1 °C; (20)Enthalpy of Vaporization: 42.85 kJ/mol; (21)Boiling Point: 210.5 °C at 760 mmHg; (22)Vapour Pressure: 0.278 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1ccnc(c1Br)F
(2)InChI:InChI=1/C6H5BrFN/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3
(3)InChIKey:SXBCGEAJVXDYBL-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C6H5BrFN/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3
(5)Std. InChIKey:SXBCGEAJVXDYBL-UHFFFAOYSA-N