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CAS No.: | 159783-22-9 |
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Name: | 4-Amino-3,5-difluoropyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H4F2N2 |
Molecular Weight: | 130.097 |
Synonyms: | 3,5-Difluoropyrid-4-ylamine;4-Amino-3,5-difluoropyridine;4-Pyridinamine,3,5-difluoro-(9CI); |
Density: | 1.393 g/cm3 |
Boiling Point: | 175 °C at 760 mmHg |
Flash Point: | 59.6 °C |
PSA: | 38.91000 |
LogP: | 1.52320 |
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The IUPAC name of 3,5-Difluoropyridin-4-amine is 3,5-difluoropyridin-4-amine. With the CAS registry number 159783-22-9, it is also named as 4-Amino-3,5-difluoropyridine. The product's categories are Amineprimary; Pyridine. In addition, its molecular formula is C5H4F2N2 and molecular weight is 130.09.
The other characteristics of 3,5-Difluoropyridin-4-amine can be summarized as: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 2.2; (6)ACD/BCF (pH 7.4): 3.09; (7)ACD/KOC (pH 5.5): 55.42; (8)ACD/KOC (pH 7.4): 77.98; (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: 1.524; (14)Molar Refractivity: 28.56 cm3; (15)Molar Volume: 93.3 cm3; (16)Polarizability: 11.32×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.393 g/cm3; (19)Flash Point: 59.6 °C; (20)Enthalpy of Vaporization: 41.13 kJ/mol; (21)Boiling Point: 175 °C at 760 mmHg; (22)Vapour Pressure: 1.17 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1cncc(F)c1N
(2)InChI: InChI=1/C5H4F2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
(3)InChIKey: XWAOYJHUAQFFMT-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H4F2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
(5)Std. InChIKey: XWAOYJHUAQFFMT-UHFFFAOYSA-N