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CAS No.: | 103999-78-6 |
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Name: | 3-AMINO-5-CHLORO-2-FLUOROPYRIDINE |
Molecular Structure: | |
Formula: | C5H4ClFN2 |
Molecular Weight: | 146.552 |
Synonyms: | 3-Amino-5-chloro-2-fluoropyridine; |
Density: | 1.449 g/cm3 |
Boiling Point: | 271.7 °C at 760 mmHg |
Flash Point: | 118.1 °C |
PSA: | 38.91000 |
LogP: | 2.03750 |
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The 3-Pyridinamine,5-chloro-2-fluoro- is an organic compound with the formula C5H4ClFN2. The IUPAC name of this chemical is 5-chloro-2-fluoropyridin-3-amine. With the CAS registry number 103999-78-6, it is also named as 3-Amino-5-chloro-2-fluoropyridine. The product's category is Pyridine.
The other characteristics of 3-Pyridinamine,5-chloro-2-fluoro- can be summarized as: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.5; (6)ACD/BCF (pH 7.4): 7.5; (7)ACD/KOC (pH 5.5): 147.2; (8)ACD/KOC (pH 7.4): 147.2; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 33.46 cm3; (14)Molar Volume: 101 cm3; (15)Polarizability: 13.26×10-24 cm3; (16)Surface Tension: 51 dyne/cm; (17)Enthalpy of Vaporization: 50.99 kJ/mol; (18)Vapour Pressure: 0.00637 mmHg at 25°C; (19)Exact Mass: 146.004704; (20)MonoIsotopic Mass: 146.004704; (21)Topological Polar Surface Area: 38.9; (22)Heavy Atom Count: 9; (23)Complexity: 101.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1cnc(F)c(N)c1
2. InChI:InChI=1/C5H4ClFN2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
3. InChIKey:GXCDEVYNVSPBLL-UHFFFAOYAC
4. Std. InChI:InChI=1S/C5H4ClFN2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
5. Std. InChIKey:GXCDEVYNVSPBLL-UHFFFAOYSA-N