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CAS No.: | 63725-51-9 |
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Name: | 6-Chloro-1H-pyrazolo[3,4-b]pyridine |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H4ClN3 |
Molecular Weight: | 153.571 |
Synonyms: | 6-chloro-1H-pyrazolo[3,4-b]pyridine;Chloropyrazolopyridine; |
Density: | 1.532 g/cm3 |
Boiling Point: | 323.764 °C at 760 mmHg |
Flash Point: | 179.347 °C |
PSA: | 41.57000 |
LogP: | 1.61130 |
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The CAS register number of 1H-Pyrazolo[3,4-b]pyridine,6-chloro- is 63725-51-9. It also can be called as Chloropyrazolopyridine and the systematic name about this chemical is 6-chloro-1H-pyrazolo[3,4-b]pyridine. The molecular formula about this chemical is C6H4ClN3 and the molecular weight is 153.5691.
Physical properties about 1H-Pyrazolo[3,4-b]pyridine,6-chloro- are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 1.568; (3)ACD/LogD (pH 7.4): 1.549; (4)ACD/BCF (pH 5.5): 9.149; (5)ACD/BCF (pH 7.4): 8.757; (6)ACD/KOC (pH 5.5): 169.706; (7)ACD/KOC (pH 7.4): 162.439; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.57 Å2; (11)Index of Refraction: 1.72; (12)Molar Refractivity: 39.606 cm3; (13)Molar Volume: 100.27 cm3; (14)Polarizability: 15.701x10-24cm3; (15)Surface Tension: 74.795 dyne/cm; (16)Density: 1.532 g/cm3; (17)Flash Point: 179.347 °C; (18)Enthalpy of Vaporization: 54.324 kJ/mol; (19)Boiling Point: 323.764 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc2c1cn[nH]2)Cl
(2)InChI: InChI=1/C6H4ClN3/c7-5-2-1-4-3-8-10-6(4)9-5/h1-3H,(H,8,9,10)
(3)InChIKey: NWYLBGYCSAJFCB-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H4ClN3/c7-5-2-1-4-3-8-10-6(4)9-5/h1-3H,(H,8,9,10)
(5)Std. InChIKey: NWYLBGYCSAJFCB-UHFFFAOYSA-N