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CAS No.: | 54232-03-0 |
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Name: | 2-BROMO-5-HYDROXY-3-PICOLINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H6BrNO |
Molecular Weight: | 143.573 |
Synonyms: | 3-Pyridinol, 6-chloro-5-methyl-;2-Bromo-5-hydroxy-3-methylpyridine; |
Density: | 1.313 g/cm3 |
Boiling Point: | 352.96 °C at 760 mmHg |
Flash Point: | 167.264 °C |
PSA: | 33.12000 |
LogP: | 1.74900 |
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The 2-Chloro-5-hydroxy-3-methylpyridine, with the CAS registry number 54232-03-0, is also known as 3-Pyridinol, 6-chloro-5-methyl- and 2-Bromo-5-hydroxy-3-methylpyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H6BrNO and molecular weight is 188.02194. What's more, its systematic name is called 6-Chloro-5-methylpyridin-3-ol.
Physical properties about 2-Chloro-5-hydroxy-3-methylpyridine are: (1)ACD/LogP: 1.44; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 338; (8)ACD/KOC (pH 7.4): 272; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 35.946 cm3; (15)Molar Volume: 109.313 cm3; (16)Surface Tension: 49.499 dyne/cm; (17)Density: 1.313 g/cm3; (18)Flash Point: 167.264 °C; (19)Enthalpy of Vaporization: 62.142 kJ/mol; (20)Boiling Point: 352.96 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cnc(Cl)c(C)c1
(2) InChI: InChI=1/C6H6ClNO/c1-4-2-5(9)3-8-6(4)7/h2-3,9H,1H3
(3) InChIKey: UGDSWVXJJFIVAH-UHFFFAOYAV