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| CAS No.: | 171366-19-1 |
|---|---|
| Name: | 2-FLUORO-3-(HYDROXYMETHYL)-4-IODOPYRIDINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H5FINO |
| Molecular Weight: | 253.015 |
| Synonyms: | 2-FLUORO-3-(HYDROXYMETHYL)-4-IODOPYRIDINE;2-Fluoro-4-iodo-3-pyridinemethanol;(2-Fluoro-4-iodopyridin-3-yl)Methanol |
| Density: | 2.061 g/cm3 |
| Boiling Point: | 330.4 °C at 760 mmHg |
| Flash Point: | 153.6 °C |
| PSA: | 33.12000 |
| LogP: | 1.31760 |
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- Total:34 Page 1 of 1 1
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Specification
The 2-Fluoro-4-iodo-3-pyridinemethanol, with CAS registry number 171366-19-1, belongs to the following product categories: (1)Pyridines; (2)Boronic Acid. It has the systematic name of (2-fluoro-4-iodopyridin-3-yl)methanol. And the chemical formula of this chemical is C6H5FINO.
Physical properties of 2-Fluoro-4-iodo-3-pyridinemethanol: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.98; (6)ACD/BCF (pH 7.4): 1.98; (7)ACD/KOC (pH 5.5): 56.67; (8)ACD/KOC (pH 7.4): 56.67; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 43.69 cm3; (15)Molar Volume: 122.7 cm3; (16)Polarizability: 17.32×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 2.061 g/cm3; (19)Flash Point: 153.6 °C; (20)Enthalpy of Vaporization: 60.48 kJ/mol; (21)Boiling Point: 330.4 °C at 760 mmHg; (22)Vapour Pressure: 6.68E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1c(I)ccnc1F
(2)InChI: InChI=1/C6H5FINO/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2
(3)InChIKey: FQCZQIGAGKWNEA-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H5FINO/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2
(5)Std. InChIKey: FQCZQIGAGKWNEA-UHFFFAOYSA-N