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23079-73-4

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Basic Information
CAS No.: 23079-73-4
Name: 3-Bromo-2,4,6-trimethylpyridine
Article Data: 6
Molecular Structure:
Molecular Structure of 23079-73-4 (3-Bromo-2,4,6-trimethylpyridine)
Formula: C8H10BrN
Molecular Weight: 200.078
Synonyms: 3-Bromo-2,4,6-collidine;3-Bromo-2,4,6-trimethylpyridine;
Density: 1.354 g/cm3
Boiling Point: 222.1 °C at 760 mmHg
Flash Point: 88.1 °C
PSA: 12.89000
LogP: 2.76930
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Specification

The systematic name of 3-Bromo-2,4,6-trimethylpyridine is Pyridine, 3-bromo-2,4,6-trimethyl-. With the CAS registry number 23079-73-4, it is also named as 3-Bromo-2,4,6-collidine. In addition, its molecular formula is C8H10BrN and its molecular weight is 200.08. 

The other characteristics of 3-Bromo-2,4,6-trimethylpyridine can be summarized as: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 109.46; (6)ACD/BCF (pH 7.4): 140.67; (7)ACD/KOC (pH 5.5): 932.99; (8)ACD/KOC (pH 7.4): 1199.07; (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: 1.542; (14)Molar Refractivity: 46.5 cm3; (15)Molar Volume: 147.6 cm3; (16)Polarizability: 18.43×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 88.1 °C; (20)Enthalpy of Vaporization: 43.99 kJ/mol; (21)Boiling Point: 222.1 °C at 760 mmHg; (22)Vapour Pressure: 0.154 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1cc(nc(c1Br)C)C
(2)InChI:InChI=1/C8H10BrN/c1-5-4-6(2)10-7(3)8(5)9/h4H,1-3H3
(3)InChIKey:HDIJRNSEQXUVPU-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C8H10BrN/c1-5-4-6(2)10-7(3)8(5)9/h4H,1-3H3
(5)Std. InChIKey:HDIJRNSEQXUVPU-UHFFFAOYSA-N