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| CAS No.: | 210169-05-4 |
|---|---|
| Name: | 3-AMINO-5-FLUOROPYRIDINE |
| Molecular Structure: | |
|
|
|
| Formula: | C5H5FN2 |
| Molecular Weight: | 112.107 |
| Synonyms: | (5-Fluoropyridin-3-yl)amine;Pyridinamine,5-fluoro-(9CI); |
| EINECS: | -0 |
| Density: | 1.257 g/cm3 |
| Melting Point: | 86 °C |
| Boiling Point: | 232.7 °C at 760 mmHg |
| Flash Point: | 94.5 °C |
| Appearance: | light yellow cryst |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 38.91000 |
| LogP: | 1.38410 |
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Specification
The IUPAC name of 3-Amino-5-fluoropyridine is 5-fluoropyridin-3-amine. With the CAS registry number 210169-05-4, it is also named as 3-Pyridinamine,5-fluoro-. The product's categories are Pyridine; Amineprimary; Halide; Pyridine Series; Pyridines; Boronic Acid. It is light yellow cryst. In addition, its molecular formula is C5H5FN2 and its molecular weight is 112.10.
The other characteristics of 3-Amino-5-fluoropyridine can be summarized as: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1.21; (6)ACD/BCF (pH 7.4): 1.23; (7)ACD/KOC (pH 5.5): 39.68; (8)ACD/KOC (pH 7.4): 40.37; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 28.57 cm3; (15)Molar Volume: 89.1 cm3; (16)Polarizability: 11.32×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 94.5 °C; (20)Melting Point: 86 °C; (21)Enthalpy of Vaporization: 46.94 kJ/mol; (22)Boiling Point: 232.7 °C at 760 mmHg; (23)Vapour Pressure: 0.0581 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1cncc(N)c1
(2)InChI: InChI=1/C5H5FN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
(3)InChIKey: ZRORIJXOWXYPMO-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H5FN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
(5)Std. InChIKey: ZRORIJXOWXYPMO-UHFFFAOYSA-N