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| CAS No.: | 89282-03-1 |
|---|---|
| Name: | 3-iodopyridin-4-ol |
| Molecular Structure: | |
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| Formula: | C5H4INO |
| Molecular Weight: | 220.997 |
| Synonyms: | 3-Iodo-4-hydroxypyridine;3-Iodopyridin-4-ol; |
| Density: | 2.12 g/cm3 |
| Melting Point: | 303 °C(Solv: water (7732-18-5)) |
| Boiling Point: | 263.4 °C at 760 mmHg |
| Flash Point: | 113.1 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 33.12000 |
| LogP: | 1.39180 |
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- Total:37 Page 1 of 1 1
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Specification
The 4-Pyridinol,3-iodo-, with CAS registry number 89282-03-1, has the systematic name of 3-iodopyridin-4(1H)-one. Besides this, it is also called 4(1H)-pyridinone, 3-iodo-. Its molecular weight is 220.993. And the chemical formula of this chemical is C5H4INO.
Physical properties of 4-Pyridinol,3-iodo-: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -0.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.83; (8)ACD/KOC (pH 7.4): 19.57; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 39.43 cm3; (15)Molar Volume: 104 cm3; (16)Polarizability: 15.63×10-24cm3; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 2.12 g/cm3; (19)Flash Point: 113.1 °C; (20)Enthalpy of Vaporization: 50.12 kJ/mol; (21)Boiling Point: 263.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0103 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/N/C=C1/I
(2)InChI: InChI=1/C5H4INO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
(3)InChIKey: YMAIMLIFWHAIKB-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H4INO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
(5)Std. InChIKey: YMAIMLIFWHAIKB-UHFFFAOYSA-N