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| CAS No.: | 129611-32-1 |
|---|---|
| Name: | 2-Bromo-3-hydroxy-6-iodopyridine |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C5H3BrINO |
| Molecular Weight: | 299.893 |
| Synonyms: | 2-Bromo-6-iodo-3-pyridinol; |
| EINECS: | 215-596-9 |
| Density: | 2.513 g/cm3 |
| Melting Point: | 141-142 °C(Solv: chloroform (67-66-3)) |
| Boiling Point: | 403.961 °C at 760 mmHg |
| Flash Point: | 198.109 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 33.12000 |
| LogP: | 2.15430 |
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- Total:33 Page 1 of 1 1
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Specification
The 2-Bromo-3-hydroxy-6-iodopyridine, with the CAS registry number 129611-32-1, is also known as 2-Bromo-6-iodo-3-pyridinol. This chemical's molecular formula is C5H3BrINO and molecular weight is 299.8919. What's more, its IUPAC name is 2-Bromo-6-iodopyridin-3-ol.
Physical properties about 2-Bromo-3-hydroxy-6-iodopyridine are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 108; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 941; (8)ACD/KOC (pH 7.4): 62; (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: 1.714; (14)Molar Refractivity: 46.823 cm3; (15)Molar Volume: 119.345 cm3; (16)Polarizability: 18.562×10-24 cm3; (17)Surface Tension: 67.862 dyne/cm; (18)Density: 2.513 g/cm3; (19)Flash Point: 198.109 °C; (20)Enthalpy of Vaporization: 68.085 kJ/mol; (21)Boiling Point: 403.961 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1nc(Br)c(O)cc1
(2) InChI: InChI=1/C5H3BrINO/c6-5-3(9)1-2-4(7)8-5/h1-2,9H
(3) InChIKey: IQUADFAYJOJQJA-UHFFFAOYAA