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CAS No.: | 618107-90-7 |
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Name: | (2-AMINO-5-IODO-PYRIDIN-3-YL)-METHANOL |
Molecular Structure: | |
Formula: | C6H7IN2O |
Molecular Weight: | 250.04 |
Synonyms: | (2-amino-5-iodopyridin-3-yl)methanol |
Density: | 2.069 g/cm3 |
Melting Point: | 170.8-174.6 °C |
Boiling Point: | 396.1 °C at 760 mmHg |
Flash Point: | 193.3 °C |
Appearance: | light yellow powder |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 59.14000 |
LogP: | 1.34190 |
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This chemical is called 3-Pyridinemethanol, 2-amino-5-iodo-, and its systematic name is (2-amino-5-iodopyridin-3-yl)methanol. With the molecular formula of C6H7IN2O, its molecular weight is 250.04. The CAS registry number of this chemical is 618107-90-7. Additionally, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the 3-Pyridinemethanol, 2-amino-5-iodo- can be summarised as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.5; (6)ACD/BCF (pH 7.4): 2.72; (7)ACD/KOC (pH 5.5): 65.54; (8)ACD/KOC (pH 7.4): 71.2; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 59.14 Å2; (13)Index of Refraction: 1.724; (14)Molar Refractivity: 47.93 cm3; (15)Molar Volume: 120.8 cm3; (16)Polarizability: 19×10-24cm3; (17)Surface Tension: 75.7 dyne/cm; (18)Density: 2.069 g/cm3; (19)Flash Point: 193.3 °C; (20)Enthalpy of Vaporization: 68.16 kJ/mol; (21)Boiling Point: 396.1 °C at 760 mmHg; (22)Vapour Pressure: 5.53E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCc1cc(I)cnc1N
2.InChI: InChI=1/C6H7IN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2,(H2,8,9)
3.InChIKey: PRUOIEDNVWNRSO-UHFFFAOYAS