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CAS No.: | 1000017-92-4 |
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Name: | 2-Chloro-3,5-dibromo-4-methylpyridine |
Molecular Structure: | |
Formula: | C6H4Br2ClN |
Molecular Weight: | 285.365 |
Synonyms: | 2-Chloro-3,5-dibromo-4-methylpyridine; |
Density: | 1.992 g/cm3 |
Boiling Point: | 285.1 °C at 760 mmHg |
Flash Point: | 126.2 °C |
PSA: | 12.89000 |
LogP: | 3.56840 |
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The Pyridine,3,5-dibromo-2-chloro-4-methyl- is an organic compound with the formula C6H4Br2ClN. The IUPAC name of this chemical is 3,5-dibromo-2-chloro-4-methylpyridine. With the CAS registry number 1000017-92-4, it is also named as 2-Chloro-3,5-dibromo-4-methylpyridine. Additionally, the molecular weight is 285.36.
The other characteristics of Pyridine,3,5-dibromo-2-chloro-4-methyl- can be summarized as: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.606; (10)Molar Refractivity: 49.44 cm3; (11)Molar Volume: 143.2 cm3; (12)Polarizability: 19.6×10-24 cm3; (13)Surface Tension: 47.4 dyne/cm; (14)Enthalpy of Vaporization: 50.31 kJ/mol; (15)Vapour Pressure: 0.00493 mmHg at 25°C; (16)Exact Mass: 284.837855; (17)MonoIsotopic Mass: 282.839902; (18)Topological Polar Surface Area: 12.9; (19)Heavy Atom Count: 10; (20)Formal Charge: 0; (21)Complexity: 122.
People can use the following data to convert to the molecule structure.
1. SMILES:Cc1c(cnc(c1Br)Cl)Br
2. InChI:InChI=1/C6H4Br2ClN/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
3. InChIKey:PFKZKCIYLRBYBZ-UHFFFAOYAR
4. Std. InChI:InChI=1S/C6H4Br2ClN/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
5. Std. InChIKey:PFKZKCIYLRBYBZ-UHFFFAOYSA-N