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CAS No.: | 25194-52-9 |
---|---|
Name: | 6-Bromopyridine-2-carboxamide 98% |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H5BrN2O |
Molecular Weight: | 201.023 |
Synonyms: | Picolinamide,6-bromo- (8CI);6-Bromo-2-pyridinecarboxamide;6-Bromopicolinamide; |
Density: | 1.71 g/cm3 |
Melting Point: | 133-138°C |
Boiling Point: | 338.126 °C at 760 mmHg |
Flash Point: | 158.293 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26-28-45 |
PSA: | 55.98000 |
LogP: | 1.64330 |
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The 2-Pyridinecarboxamide,6-bromo-, with the CAS registry number 25194-52-9, is also known as 6-Bromo-2-pyridinecarboxamide. This chemical's molecular formula is C6H5BrN2O and molecular weight is 201.0207. It belongs to the product categories of Blocks; Pyridines. What's more, both its IUPAC name and systematic name are the same which is called 6-Bromopyridine-2-carboxamide.
Physical properties about 2-Pyridinecarboxamide,6-bromo are: (1)ACD/LogP: 0.77; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 77; (8)ACD/KOC (pH 7.4): 77; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.98 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 40.965 cm3; (15)Molar Volume: 117.543 cm3; (16)Polarizability: 16.24×10-24cm3; (17)Surface Tension: 59.421 dyne/cm; (18)Density: 1.71 g/cm3; (19)Flash Point: 158.293 °C; (20)Enthalpy of Vaporization: 58.145 kJ/mol; (21)Boiling Point: 338.126 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1cccc(Br)n1
(2) InChI: InChI=1/C6H5BrN2O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,8,10)
(3) InChIKey: InChI=1S/C6H5BrN2O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,8,10)