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CAS No.: | 313678-93-2 |
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Name: | 2-HYDROXY-3-IODO-5-METHYLPYRIDINE |
Molecular Structure: | |
Formula: | C6H6INO |
Molecular Weight: | 235.02241 |
Synonyms: | 3-Iodo-5-methylpyridin-2-ol; |
Density: | 1.967 g/cm3 |
Melting Point: | 190-193°C |
Boiling Point: | 295.8 °C at 760 mmHg |
Flash Point: | 132.7 °C |
Appearance: | yellow powder |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 33.12000 |
LogP: | 1.70020 |
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This chemical is called 2(1H)-Pyridinone,3-iodo-5-methyl-, and its systematic name is 3-iodo-5-methyl-pyridin-2-ol. With the molecular formula of C6H6INO, its molecular weight is 235.02241. The CAS registry number of this chemical is 313678-93-2. In addition, this chemical should be sealed in the cool and dry place, away from oxides and light.
Other characteristics of the 2(1H)-Pyridinone,3-iodo-5-methyl- can be summarised as followings: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.47 ; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 33.12 Å2; (9)Index of Refraction: 1.657; (10)Molar Refractivity: 43.95 cm3; (11)Molar Volume: 119.4 cm3; (12)Polarizability: 17.42×10-24cm3; (13)Surface Tension: 58 dyne/cm; (14)Density: 1.967 g/cm3; (15)Flash Point: 132.7 °C; (16)Enthalpy of Vaporization: 55.7 kJ/mol; (17)Boiling Point: 295.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000846 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cnc(O)c(I)c1
2.InChI: InChI=1/C6H6INO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
3.InChIKey: ASWXKNUHPBTHJI-UHFFFAOYAT