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CAS No.: | 73112-16-0 |
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Name: | 2,6-Dibromo-4-methylpyridine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H5Br2N |
Molecular Weight: | 250.92 |
Synonyms: | 2,6-Dibromo-4-methylpyridine;2,6-Dibromo-4-picoline; |
Density: | 1.911 g/cm3 |
Melting Point: | 77-79℃ |
Boiling Point: | 282.8 °C at 760 mmHg |
Flash Point: | 124.8 °C |
PSA: | 12.89000 |
LogP: | 2.91500 |
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This product is an organic compound with the formula C6H5Br2N. The IUPAC name of this chemical is 2,6-dibromo-4-methylpyridine. With the CAS registry number 73112-16-0, it is also named as pyridine, 2,6-dibromo-4-methyl-. The molecular weight is 250.92.
The other characteristics of 2,6-Dibromo-4-methylpyridine can be summarized as: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.38; (6)ACD/BCF (pH 7.4): 72.38; (7)ACD/KOC (pH 5.5): 745.97; (8)ACD/KOC (pH 7.4): 745.97; (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: 1.593; (14)Molar Refractivity: 44.54 cm3; (15)Molar Volume: 131.3 cm3; (16)Polarizability: 17.66×10-24 cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Enthalpy of Vaporization: 50.07 kJ/mol; (19)Vapour Pressure: 0.00562 mmHg at 25°C; (20)Exact Mass: 250.876828; (21)MonoIsotopic Mass: 248.878874; (22)Topological Polar Surface Area: 12.9; (23)Heavy Atom Count: 9; (24)Complexity: 87.1.
People can use the following data to convert to the molecule structure.
1. SMILES:Cc1cc(nc(c1)Br)Br
2. InChI:InChI=1/C6H5Br2N/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3
3. InChIKey:OHBIPNNTWKNAGC-UHFFFAOYAA
4. Std. InChI:InChI=1S/C6H5Br2N/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3
5. Std. InChIKey:OHBIPNNTWKNAGC-UHFFFAOYSA-N