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CAS No.: | 14529-54-5 |
---|---|
Name: | 3,5-DIBROMO-1-METHYL-1H-PYRIDIN-2-ONE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C6H5Br2NO |
Molecular Weight: | 266.92 |
Synonyms: | 2(1H)-Pyridone,3,5-dibromo-1-methyl- (6CI,7CI,8CI);1-Methyl-3,5-dibromo-2-pyridone;3,5-Dibromo-1-methyl-1H-pyridin-2-one;3,5-Dibromo-1-methyl-2(1H)-pyridone; |
Density: | 2.13 g/cm3 |
Melting Point: | 182 °C |
Boiling Point: | 259.4 °C at 760 mmHg |
Flash Point: | 110.7 °C |
PSA: | 22.00000 |
LogP: | 1.91030 |
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The 3,5-Dibromo-1-methylpyridin-2(1H)-one, with the CAS registry number 14529-54-5, is also called 3,5-Dibromo-1-methyl-1H-pyridin-2-one. The molecular formula of the chemical is C6H5Br2NO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 1.37; (7)ACD/KOC (pH 5.5): 43.61; (8)ACD/KOC (pH 7.4): 43.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 46.23 cm3; (15)Molar Volume: 125.3 cm3; (16)Polarizability: 18.32×10-24cm3; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 2.13 g/cm3; (19)Flash Point: 110.7 °C; (20)Enthalpy of Vaporization: 49.7 kJ/mol; (21)Boiling Point: 259.4 °C at 760 mmHg; (22)Vapour Pressure: 0.013 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br\C1=C\C(\Br)=C/N(C1=O)C
(2)InChI: InChI=1/C6H5Br2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
(3)InChIKey: AOJAJTJZSBVNPU-UHFFFAOYAO