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CAS No.: | 89581-53-3 |
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Name: | 3,5-Dibromo-2-hydroxy-4-methylpyridine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H5Br2NO |
Molecular Weight: | 266.92 |
Synonyms: | 2(1H)-Pyridone,3,5-dibromo-4-methyl- (7CI); |
Density: | 2.081 g/cm3 |
Boiling Point: | 287.1 °C at 760 mmHg |
Flash Point: | 127.4 °C |
PSA: | 33.12000 |
LogP: | 2.62060 |
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The 2(1H)-Pyridinone,3,5-dibromo-4-methyl-, with CAS registry number 89581-53-3, has the systematic name of 3,5-dibromo-4-methylpyridin-2(1H)-one. And the chemical formula of this chemical is C6H5Br2NO.
Physical properties of 2(1H)-Pyridinone,3,5-dibromo-4-methyl-: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 1.81; (7)ACD/KOC (pH 5.5): 58.81; (8)ACD/KOC (pH 7.4): 51.09; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 46.01 cm3; (15)Molar Volume: 128.2 cm3; (16)Polarizability: 18.24×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Enthalpy of Vaporization: 52.63 kJ/mol; (19)Vapour Pressure: 0.00253 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Br\C1=C(\C(\Br)=C/NC1=O)C
(2)InChI: InChI=1/C6H5Br2NO/c1-3-4(7)2-9-6(10)5(3)8/h2H,1H3,(H,9,10)
(3)InChIKey: LZRVNGJBQXHGIP-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H5Br2NO/c1-3-4(7)2-9-6(10)5(3)8/h2H,1H3,(H,9,10)
(5)Std. InChIKey: LZRVNGJBQXHGIP-UHFFFAOYSA-N